 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Boat_STD_B3LYPDBJ-def2SVPDr.in
 Output=27_methylindane_Boat_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/27_methylindane_Boat_STD/Gau-11823.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/27_methylindane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11828.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=27_methylindane_Boat_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.164986000000     -1.224920000000     -0.005005000000
  C                                                -2.642020000000      0.073409000000      0.146690000000
  C                                                -1.762079000000      1.153232000000      0.130794000000
  C                                                -0.405452000000      0.917524000000     -0.034454000000
  C                                                 0.074285000000     -0.384887000000     -0.186400000000
  C                                                -0.802207000000     -1.459935000000     -0.173869000000
  C                                                 1.577720000000     -0.384146000000     -0.367381000000
  C                                                 1.970002000000      1.020984000000      0.144037000000
  C                                                 0.731931000000      1.906712000000     -0.098518000000
  H                                                -2.856720000000     -2.057467000000      0.013689000000
  H                                                -3.702276000000      0.244250000000      0.283207000000
  H                                                -2.135971000000      2.162786000000      0.253773000000
  H                                                -0.437393000000     -2.473544000000     -0.286670000000
  H                                                 1.789870000000     -0.436688000000     -1.443748000000
  C                                                 2.317593000000     -1.524644000000      0.320775000000
  H                                                 2.873170000000      1.403772000000     -0.331853000000
  H                                                 2.163642000000      0.958387000000      1.218672000000
  H                                                 0.772481000000      2.369953000000     -1.090624000000
  H                                                 0.637692000000      2.716269000000      0.626868000000
  H                                                 2.108272000000     -1.526468000000      1.392826000000
  H                                                 3.396620000000     -1.425796000000      0.184958000000
  H                                                 2.021897000000     -2.495429000000     -0.081110000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391485   0.000000
     3  C    2.415861   1.393042   0.000000
     4  C    2.772525   2.397411   1.386832   0.000000
     5  C    2.398519   2.774761   2.416331   1.396248   0.000000
     6  C    1.393167   2.416364   2.800503   2.414366   1.387128
     7  C    3.853059   4.275492   3.710252   2.395445   1.514289
     8  C    4.707911   4.708360   3.734447   2.384396   2.383150
     9  C    4.267082   3.847684   2.615416   1.508720   2.385717
    10  H    1.082580   2.145791   3.394192   3.855075   3.380584
    11  H    2.145877   1.082574   2.147986   3.379831   3.857299
    12  H    3.397699   2.152452   1.083567   2.151383   3.401415
    13  H    2.150110   3.396344   3.883629   3.400585   2.152756
    14  H    4.281609   4.736174   4.198020   2.939292   2.127637
    15  C    4.504385   5.213621   4.883732   3.674962   2.566847
    16  H    5.692088   5.693522   4.665013   3.327799   3.324788
    17  H    5.000124   5.002671   4.078324   2.858713   2.853774
    18  H    4.767640   4.296961   3.065333   2.147690   2.982322
    19  H    4.877216   4.239315   2.906557   2.181967   3.255150
    20  H    4.506173   5.165049   4.873719   3.785371   2.816783
    21  H    5.568474   6.222078   5.767711   4.471582   3.501329
    22  H    4.376068   5.329441   5.260808   4.188371   2.873789
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.618935   0.000000
     8  C    3.733787   1.545906   0.000000
     9  C    3.700482   2.456761   1.541482   0.000000
    10  H    2.147847   4.754942   5.726351   5.348432   0.000000
    11  H    3.394638   5.356912   5.726903   4.750967   2.466882
    12  H    3.884059   4.545789   4.263188   2.900783   4.288083
    13  H    1.083151   2.903925   4.265300   4.537550   2.473152
    14  H    3.062432   1.098332   2.162942   2.901793   5.132431
    15  C    3.159432   1.523715   2.575321   3.803201   5.210731
    16  H    4.661992   2.208190   1.090280   2.211854   6.703075
    17  H    4.072310   2.158996   1.093735   2.164280   5.979247
    18  H    4.241241   2.959147   2.185901   1.095678   5.830322
    19  H    4.489451   3.388917   2.209563   1.091077   5.947727
    20  H    3.306032   2.164420   2.840441   3.988126   5.180263
    21  H    4.214270   2.167605   2.832604   4.276276   6.287496
    22  H    3.009388   2.176410   3.523996   4.587282   4.899153
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.476885   0.000000
    13  H    4.286097   4.967172   0.000000
    14  H    5.797389   5.005104   3.232385   0.000000
    15  C    6.274490   5.782375   2.976466   2.139084   0.000000
    16  H    6.705168   5.100054   5.098573   2.407726   3.051264
    17  H    5.982815   4.568181   4.561753   3.028931   2.644875
    18  H    5.140961   3.210828   5.056639   3.006162   4.421233
    19  H    5.006426   2.852849   5.378152   3.944123   4.571772
    20  H    6.174882   5.737738   3.193442   3.055348   1.092297
    21  H    7.293355   6.594863   4.002482   2.492522   1.092024
    22  H    6.356471   6.252918   2.467963   2.479724   1.091500
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.762364   0.000000
    18  H    2.433543   3.043139   0.000000
    19  H    2.763902   2.401854   1.757237   0.000000
    20  H    3.485096   2.491566   4.809777   4.555229   0.000000
    21  H    2.923619   2.876305   4.787580   4.996366   1.768875
    22  H    3.998913   3.693016   5.123680   5.438663   1.766022
                   21         22
    21  H    0.000000
    22  H    1.762036   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.53D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3914598           1.2314279           0.8455004
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   316 symmetry adapted cartesian basis functions of A   symmetry.
 There are   296 symmetry adapted basis functions of A   symmetry.
   296 basis functions,   440 primitive gaussians,   316 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       504.1844683919 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0407868148 Hartrees.
 Nuclear repulsion after empirical dispersion term =      504.1436815771 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:              11.0 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   296 RedAO= T EigKep=  4.82D-06  NBF=   296
 NBsUse=   296 1.00D-06 EigRej= -1.00D+00 NBFU=   296
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   316   316   316   316   316 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636939162 LenY=  5636838865
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.079932139686    
 DIIS: error= 3.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.079932139686     IErMin= 1 ErrMin= 3.09D-03
 ErrMax= 3.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-03 BMatP= 5.75D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.226 Goal=   None    Shift=    0.000
 GapD=    0.226 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.09D-02 MaxDP=6.62D-01              OVMax= 1.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.42D-02    CP:  1.52D+00
 E= -388.085140875050     Delta-E=       -0.005208735364 Rises=F Damp=F
 DIIS: error= 2.48D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.085140875050     IErMin= 2 ErrMin= 2.48D-04
 ErrMax= 2.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-05 BMatP= 5.75D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.48D-03
 Coeff-Com: -0.668D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.667D-02 0.101D+01
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=3.52D-02 DE=-5.21D-03 OVMax= 2.50D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.45D-04    CP:  1.55D+00  1.05D+00
 E= -388.085140315652     Delta-E=        0.000000559398 Rises=F Damp=F
 DIIS: error= 2.61D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -388.085140875050     IErMin= 2 ErrMin= 2.48D-04
 ErrMax= 2.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-05 BMatP= 4.49D-05
 IDIUse=3 WtCom= 3.82D-01 WtEn= 6.18D-01
 Coeff-Com: -0.115D-01 0.537D+00 0.475D+00
 Coeff-En:   0.000D+00 0.503D+00 0.497D+00
 Coeff:     -0.441D-02 0.516D+00 0.489D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=4.20D-03 DE= 5.59D-07 OVMax= 2.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.95D-05    CP:  1.54D+00  1.04D+00  7.36D-01
 E= -388.085199440982     Delta-E=       -0.000059125330 Rises=F Damp=F
 DIIS: error= 7.23D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.085199440982     IErMin= 4 ErrMin= 7.23D-05
 ErrMax= 7.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-06 BMatP= 4.49D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.514D-02 0.173D+00 0.232D+00 0.601D+00
 Coeff:     -0.514D-02 0.173D+00 0.232D+00 0.601D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=3.74D-05 MaxDP=1.12D-03 DE=-5.91D-05 OVMax= 1.17D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.17D-05    CP:  1.54D+00  1.04D+00  7.82D-01  7.34D-01
 E= -388.085201458838     Delta-E=       -0.000002017856 Rises=F Damp=F
 DIIS: error= 4.45D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.085201458838     IErMin= 5 ErrMin= 4.45D-05
 ErrMax= 4.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-02 0.160D-01 0.648D-01 0.419D+00 0.502D+00
 Coeff:     -0.142D-02 0.160D-01 0.648D-01 0.419D+00 0.502D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.76D-05 MaxDP=4.12D-04 DE=-2.02D-06 OVMax= 5.04D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.78D-06    CP:  1.54D+00  1.04D+00  7.77D-01  8.00D-01  5.44D-01
 E= -388.085202796358     Delta-E=       -0.000001337520 Rises=F Damp=F
 DIIS: error= 3.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.085202796358     IErMin= 6 ErrMin= 3.48D-06
 ErrMax= 3.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-08 BMatP= 1.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.459D-03 0.209D-02 0.205D-01 0.157D+00 0.211D+00 0.610D+00
 Coeff:     -0.459D-03 0.209D-02 0.205D-01 0.157D+00 0.211D+00 0.610D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.21D-06 MaxDP=5.56D-05 DE=-1.34D-06 OVMax= 4.39D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.74D-06    CP:  1.54D+00  1.04D+00  7.77D-01  8.02D-01  5.69D-01
                    CP:  8.55D-01
 E= -388.085202806270     Delta-E=       -0.000000009912 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.085202806270     IErMin= 7 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-09 BMatP= 1.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.478D-04-0.994D-03 0.164D-02 0.238D-01 0.415D-01 0.317D+00
 Coeff-Com:  0.617D+00
 Coeff:     -0.478D-04-0.994D-03 0.164D-02 0.238D-01 0.415D-01 0.317D+00
 Coeff:      0.617D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=6.32D-07 MaxDP=2.01D-05 DE=-9.91D-09 OVMax= 1.42D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.75D-07    CP:  1.54D+00  1.04D+00  7.78D-01  8.03D-01  5.66D-01
                    CP:  8.82D-01  7.95D-01
 E= -388.085202808008     Delta-E=       -0.000000001738 Rises=F Damp=F
 DIIS: error= 2.84D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.085202808008     IErMin= 8 ErrMin= 2.84D-07
 ErrMax= 2.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-11 BMatP= 1.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.991D-06-0.538D-03-0.311D-03 0.264D-02 0.835D-02 0.112D+00
 Coeff-Com:  0.276D+00 0.602D+00
 Coeff:      0.991D-06-0.538D-03-0.311D-03 0.264D-02 0.835D-02 0.112D+00
 Coeff:      0.276D+00 0.602D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.53D-07 MaxDP=5.31D-06 DE=-1.74D-09 OVMax= 2.72D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.85D-08    CP:  1.54D+00  1.04D+00  7.78D-01  8.03D-01  5.67D-01
                    CP:  8.86D-01  7.87D-01  7.24D-01
 E= -388.085202808050     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 7.40D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.085202808050     IErMin= 9 ErrMin= 7.40D-08
 ErrMax= 7.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-12 BMatP= 6.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-05-0.180D-03-0.235D-03-0.273D-03 0.136D-02 0.303D-01
 Coeff-Com:  0.851D-01 0.281D+00 0.603D+00
 Coeff:      0.328D-05-0.180D-03-0.235D-03-0.273D-03 0.136D-02 0.303D-01
 Coeff:      0.851D-01 0.281D+00 0.603D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.43D-08 MaxDP=1.89D-06 DE=-4.21D-11 OVMax= 7.97D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.28D-08    CP:  1.54D+00  1.04D+00  7.78D-01  8.03D-01  5.67D-01
                    CP:  8.87D-01  7.84D-01  7.33D-01  8.71D-01
 E= -388.085202808046     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 2.31D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -388.085202808050     IErMin=10 ErrMin= 2.31D-08
 ErrMax= 2.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-13 BMatP= 5.36D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-05-0.537D-04-0.942D-04-0.319D-03 0.163D-03 0.765D-02
 Coeff-Com:  0.244D-01 0.102D+00 0.298D+00 0.568D+00
 Coeff:      0.154D-05-0.537D-04-0.942D-04-0.319D-03 0.163D-03 0.765D-02
 Coeff:      0.244D-01 0.102D+00 0.298D+00 0.568D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=4.84D-07 DE= 4.43D-12 OVMax= 3.93D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.97D-09    CP:  1.54D+00  1.04D+00  7.78D-01  8.03D-01  5.67D-01
                    CP:  8.87D-01  7.85D-01  7.34D-01  8.72D-01  8.63D-01
 E= -388.085202808067     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 1.31D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -388.085202808067     IErMin=11 ErrMin= 1.31D-08
 ErrMax= 1.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-13 BMatP= 4.55D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.444D-06-0.654D-05-0.222D-04-0.154D-03-0.813D-04 0.300D-03
 Coeff-Com:  0.254D-02 0.213D-01 0.945D-01 0.356D+00 0.525D+00
 Coeff:      0.444D-06-0.654D-05-0.222D-04-0.154D-03-0.813D-04 0.300D-03
 Coeff:      0.254D-02 0.213D-01 0.945D-01 0.356D+00 0.525D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.67D-09 MaxDP=1.46D-07 DE=-2.13D-11 OVMax= 1.75D-07

 SCF Done:  E(RB3LYP) =  -388.085202808     A.U. after   11 cycles
            NFock= 11  Conv=0.47D-08     -V/T= 2.0121
 KE= 3.834452583438D+02 PE=-1.904580993477D+03 EE= 6.289068507484D+02
 Leave Link  502 at Fri Jul 16 13:12:13 2021, MaxMem=  5637144576 cpu:             987.0 elap:             124.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   296
 NBasis=   296 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    296 NOA=    36 NOB=    36 NVA=   260 NVB=   260

 **** Warning!!: The largest alpha MO coefficient is  0.82673478D+02

 Leave Link  801 at Fri Jul 16 13:12:14 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6641 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.56D-13 8.33D-09 XBig12= 1.00D+00 5.42D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.56D-13 8.33D-09 XBig12= 4.10D-01 1.11D-01.
     11 vectors produced by pass  2 Test12= 1.56D-13 8.33D-09 XBig12= 5.55D-02 6.23D-02.
     11 vectors produced by pass  3 Test12= 1.56D-13 8.33D-09 XBig12= 3.10D-03 1.87D-02.
     11 vectors produced by pass  4 Test12= 1.56D-13 8.33D-09 XBig12= 7.25D-04 6.12D-03.
     11 vectors produced by pass  5 Test12= 1.56D-13 8.33D-09 XBig12= 2.57D-05 8.82D-04.
     11 vectors produced by pass  6 Test12= 1.56D-13 8.33D-09 XBig12= 5.13D-07 1.05D-04.
     11 vectors produced by pass  7 Test12= 1.56D-13 8.33D-09 XBig12= 5.64D-09 1.68D-05.
     11 vectors produced by pass  8 Test12= 1.56D-13 8.33D-09 XBig12= 6.33D-11 1.45D-06.
      8 vectors produced by pass  9 Test12= 1.56D-13 8.33D-09 XBig12= 7.51D-13 1.23D-07.
      1 vectors produced by pass 10 Test12= 1.56D-13 8.33D-09 XBig12= 6.40D-15 1.50D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146768D+03
      2  0.202385D+01  0.128035D+03
      3 -0.379004D+01  0.149951D+01  0.791978D+02
 Isotropic polarizability for W=    0.085645      118.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.765727D+02 -0.170987D+02  0.151164D+02
      2   0.387886D+02  0.283059D+01 -0.141082D+02
      3   0.377841D+02  0.142682D+02 -0.100822D+01
      4  -0.284119D+02 -0.317477D+02 -0.111846D+02
      5   0.150624D+02 -0.144756D+02  0.376322D+02
      6  -0.802208D+01 -0.170495D+01  0.185947D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.453659D+00  0.120819D+01  0.143565D+01
      2   0.106553D+02 -0.608959D+01  0.149777D+02
      3   0.628574D+00  0.333771D+02  0.545360D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.329095D+01  0.124032D+02  0.124087D+02
      2   0.540021D-01 -0.316257D+01 -0.151961D+00
      3  -0.113131D+02  0.705363D+02  0.645353D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.114074D+01 -0.140871D+01 -0.379111D+00
      2  -0.140871D+01  0.216298D+01 -0.329064D+01
      3  -0.379111D+00 -0.329064D+01 -0.120459D+01
 OR G Eigenvalues:    -3.6816    -0.8645     4.3638  Iso=     0.0608
 Eigenvectors:
   (1)   0.401227   0.520913   0.753436
   (2)   0.897277  -0.058151  -0.437622
   (3)  -0.184150   0.851627  -0.490735
 w=    0.085645 a.u., Optical Rotation Beta=      0.0608 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =       21.80 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43956 ScalPx= 5.71D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.52D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.60D-14 2.78D-09 XBig12= 1.00D+00 4.71D-01.
     30 vectors produced by pass  1 Test12= 2.60D-14 2.78D-09 XBig12= 3.25D-02 3.94D-02.
     30 vectors produced by pass  2 Test12= 2.60D-14 2.78D-09 XBig12= 8.30D-04 4.99D-03.
     30 vectors produced by pass  3 Test12= 2.60D-14 2.78D-09 XBig12= 2.15D-05 4.48D-04.
     30 vectors produced by pass  4 Test12= 2.60D-14 2.78D-09 XBig12= 1.71D-07 4.35D-05.
     30 vectors produced by pass  5 Test12= 2.60D-14 2.78D-09 XBig12= 9.61D-10 2.80D-06.
     30 vectors produced by pass  6 Test12= 2.60D-14 2.78D-09 XBig12= 3.45D-12 1.48D-07.
      4 vectors produced by pass  7 Test12= 2.60D-14 2.78D-09 XBig12= 6.54D-15 8.38D-09.
      2 vectors produced by pass  8 Test12= 2.60D-14 2.78D-09 XBig12= 4.05D-15 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   216 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.13D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.13D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.68D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146768D+03  0.202385D+01 -0.379004D+01
      2   0.202385D+01  0.128035D+03  0.149951D+01
      3  -0.379004D+01  0.149951D+01  0.791978D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.453659D+00  0.120819D+01  0.143565D+01
      2   0.106553D+02 -0.608959D+01  0.149777D+02
      3   0.628574D+00  0.333771D+02  0.545360D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.765727D+02 -0.170987D+02  0.151164D+02
      2   0.387886D+02  0.283059D+01 -0.141082D+02
      3   0.377841D+02  0.142682D+02 -0.100822D+01
      4  -0.284119D+02 -0.317477D+02 -0.111846D+02
      5   0.150624D+02 -0.144756D+02  0.376322D+02
      6  -0.802208D+01 -0.170495D+01  0.185947D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.761341D+00 -0.108044D+01 -0.740073D+00 -0.534433D+01  0.882669D-02
      2  -0.108044D+01 -0.229805D+01 -0.645010D+00  0.882669D-02 -0.219039D+01
      3  -0.740073D+00 -0.645010D+00 -0.115779D+01  0.710506D+00  0.437542D+00
                 6             7             8             9            10 
      1   0.710506D+00 -0.132849D+01 -0.833858D-01 -0.359480D+01 -0.484104D+01
      2   0.437542D+00 -0.833858D-01  0.454460D+00 -0.380266D+01  0.809941D+00
      3  -0.202057D+01 -0.359480D+01 -0.380266D+01  0.149232D+00 -0.506413D+00
                11            12            13            14            15 
      1   0.809941D+00 -0.506413D+00  0.170550D+01  0.238384D+01  0.195607D+00
      2  -0.258879D+01 -0.787317D-01  0.238384D+01  0.236953D+01 -0.389518D+00
      3  -0.787317D-01 -0.202374D+01  0.195607D+00 -0.389518D+00  0.610908D+00
                16            17            18            19            20 
      1  -0.687068D+00  0.591527D+00 -0.535900D+01  0.112122D+01 -0.336686D+01
      2   0.591527D+00  0.277929D+00  0.695659D+00 -0.336686D+01 -0.379007D+01
      3  -0.535900D+01  0.695659D+00  0.129418D+01 -0.266133D+00  0.614679D+00
                21            22            23            24            25 
      1  -0.266133D+00  0.512871D+01 -0.348050D+00 -0.124799D+00  0.320247D+00
      2   0.614679D+00 -0.348050D+00  0.291047D+00 -0.430770D+00  0.100253D+01
      3  -0.435434D+00 -0.124799D+00 -0.430770D+00  0.179887D+01 -0.250706D+01
                26            27            28            29            30 
      1   0.100253D+01 -0.250706D+01  0.853453D+00  0.333871D+01 -0.318431D+00
      2  -0.550071D+00  0.358483D+01  0.333871D+01  0.735097D+01 -0.198268D+00
      3   0.358483D+01  0.132699D+01 -0.318431D+00 -0.198268D+00  0.125248D+01
                31            32            33            34            35 
      1   0.125962D+02  0.452080D+01 -0.110229D+01  0.174880D+01 -0.406259D+00
      2   0.452080D+01  0.717578D+01 -0.544970D+00 -0.406259D+00 -0.233746D+00
      3  -0.110229D+01 -0.544970D+00  0.134369D+01  0.169038D+01  0.291636D+01
                36            37            38            39            40 
      1   0.169038D+01  0.166985D+02 -0.201574D+01 -0.217362D+01 -0.614333D+01
      2   0.291636D+01 -0.201574D+01  0.387409D+01  0.107851D+00 -0.333782D+01
      3   0.978971D-01 -0.217362D+01  0.107851D+00  0.188932D+01 -0.269605D-01
                41            42            43            44            45 
      1  -0.333782D+01 -0.269605D-01 -0.164156D+01 -0.419475D+00  0.321011D+01
      2  -0.963497D+00  0.574265D+00 -0.419475D+00  0.355238D+00 -0.756646D+00
      3   0.574265D+00  0.160180D+00  0.321011D+01 -0.756646D+00 -0.130387D+01
                46            47            48            49            50 
      1  -0.228478D+01  0.354038D+01  0.309783D+00 -0.607086D+01  0.763498D+00
      2   0.354038D+01  0.213881D+01 -0.403960D+00  0.763498D+00 -0.169984D+01
      3   0.309783D+00 -0.403960D+00  0.564621D+00  0.247901D+00  0.391460D+00
                51            52            53            54            55 
      1   0.247901D+00  0.141613D+00 -0.461824D+00  0.465315D+00 -0.538879D+01
      2   0.391460D+00 -0.461824D+00  0.101071D+00 -0.415546D+01  0.265600D+01
      3  -0.186059D+01  0.465315D+00 -0.415546D+01 -0.123342D+01  0.142888D+01
                56            57            58            59            60 
      1   0.265600D+01  0.142888D+01  0.325667D+01 -0.341407D+01  0.251502D+00
      2  -0.236468D+01  0.155112D+00 -0.341407D+01 -0.214296D+01 -0.154664D+01
      3   0.155112D+00 -0.208167D+01  0.251502D+00 -0.154664D+01  0.649363D+00
                61            62            63            64            65 
      1   0.398605D+01  0.741295D-01 -0.367159D+01 -0.466933D+01 -0.390159D+01
      2   0.741295D-01 -0.213366D+01  0.406350D+00 -0.390159D+01  0.108066D+01
      3  -0.367159D+01  0.406350D+00  0.874414D+01  0.219220D+01  0.727940D+00
                66            67            68            69            70 
      1   0.219220D+01 -0.384613D+01  0.661092D+00  0.910189D+00  0.371647D+01
      2   0.727940D+00  0.661092D+00  0.264472D+01  0.136939D+01  0.177644D+01
      3  -0.156088D+01  0.910189D+00  0.136939D+01  0.380305D+00 -0.256798D+01
                71            72            73            74            75 
      1   0.177644D+01 -0.256798D+01 -0.249653D+01  0.489636D+00 -0.978247D-01
      2   0.152582D+01  0.122969D+00  0.489636D+00 -0.261454D+01  0.970307D+00
      3   0.122969D+00 -0.623746D+01 -0.978247D-01  0.970307D+00 -0.124442D+00
                76            77            78            79            80 
      1  -0.398936D+00 -0.438760D+01  0.104752D+01  0.831169D+00  0.205094D+01
      2  -0.438760D+01 -0.889861D+01 -0.447948D+00  0.205094D+01  0.361992D+00
      3   0.104752D+01 -0.447948D+00 -0.372914D+01 -0.158501D+01 -0.629862D+01
                81            82            83            84            85 
      1  -0.158501D+01 -0.581845D+01 -0.437667D+01  0.190710D+00 -0.419548D+01
      2  -0.629862D+01 -0.437667D+01 -0.377956D+01  0.173492D+00 -0.489143D+01
      3   0.347672D+01  0.190710D+00  0.173492D+00 -0.564434D+00 -0.412990D-01
                86            87            88            89            90 
      1  -0.489143D+01 -0.412990D-01  0.323159D+00  0.159022D+00 -0.305288D-01
      2  -0.683185D+01  0.884233D-02  0.159022D+00 -0.917255D-02 -0.613064D-01
      3   0.884233D-02 -0.661830D+00 -0.305288D-01 -0.613064D-01 -0.820183D-02
                91            92            93            94            95 
      1  -0.136750D+02  0.139878D+01  0.143694D+01  0.154207D+01 -0.182388D+01
      2   0.139878D+01 -0.860498D+00 -0.157014D+00 -0.182388D+01  0.562294D+00
      3   0.143694D+01 -0.157014D+00 -0.101842D+01 -0.283779D+00  0.204532D+00
                96            97            98            99           100 
      1  -0.283779D+00  0.170130D+01 -0.302536D+00 -0.212958D+00 -0.230661D+01
      2   0.204532D+00 -0.302536D+00  0.190945D+00  0.702749D-01  0.253724D+01
      3   0.171896D+00 -0.212958D+00  0.702749D-01  0.158198D+00  0.363143D+00
               101           102           103           104           105 
      1   0.253724D+01  0.363143D+00  0.246665D+01 -0.383477D+01 -0.404390D+00
      2  -0.274931D+01 -0.403184D+00 -0.383477D+01  0.934344D+01  0.978618D+00
      3  -0.403184D+00 -0.423711D+00 -0.404390D+00  0.978618D+00  0.930717D+00
               106           107           108           109           110 
      1   0.353795D+00 -0.559842D+00 -0.167453D+00  0.134198D+01 -0.169920D+01
      2  -0.559842D+00  0.114173D+01  0.277766D+00 -0.169920D+01  0.199475D+01
      3  -0.167453D+00  0.277766D+00  0.119558D+00 -0.139615D+00  0.302992D+00
               111           112           113           114           115 
      1  -0.139615D+00 -0.134187D+01  0.171385D+01  0.129644D+00 -0.192874D+00
      2   0.302992D+00  0.171385D+01 -0.956967D+01 -0.963622D+00  0.268087D+00
      3   0.203639D+00  0.129644D+00 -0.963622D+00 -0.864060D+00 -0.528153D-01
               116           117           118           119           120 
      1   0.268087D+00 -0.528153D-01  0.323926D+01 -0.682728D+00 -0.210847D+01
      2  -0.929544D+00 -0.149208D+00 -0.682728D+00  0.765758D+00  0.127772D+00
      3  -0.149208D+00 -0.172119D+00 -0.210847D+01  0.127772D+00  0.189519D+01
               121           122           123           124           125 
      1  -0.112986D+01  0.168200D+01  0.114419D+00 -0.618577D+01  0.617039D+00
      2   0.168200D+01 -0.411432D+00 -0.101104D+01  0.617039D+00 -0.122489D+01
      3   0.114419D+00 -0.101104D+01 -0.357510D+00  0.412970D+01 -0.738686D+00
               126           127           128           129           130 
      1   0.412970D+01 -0.795324D+01 -0.673142D+00  0.134350D+01 -0.410903D+01
      2  -0.738686D+00 -0.673142D+00  0.294417D+01 -0.329453D+00  0.316462D+01
      3  -0.956889D+01  0.134350D+01 -0.329453D+00  0.164483D+01 -0.489240D+00
               131           132           133           134           135 
      1   0.316462D+01 -0.489240D+00  0.219145D+01 -0.114682D+01  0.102270D+01
      2   0.300757D+01  0.270930D+01 -0.114682D+01  0.316284D+01  0.789114D+00
      3   0.270930D+01  0.174641D+00  0.102270D+01  0.789114D+00 -0.634052D+01
               136           137           138           139           140 
      1   0.945332D+01  0.339170D+01 -0.182813D+01  0.294220D+01  0.222282D+01
      2   0.339170D+01  0.200288D+01 -0.652872D+00  0.222282D+01  0.169399D+01
      3  -0.182813D+01 -0.652872D+00  0.136589D+01 -0.630856D+00 -0.785811D+00
               141           142           143           144           145 
      1  -0.630856D+00 -0.405220D+01 -0.141553D+01  0.218789D+01  0.163634D+01
      2  -0.785811D+00 -0.141553D+01 -0.133633D+01  0.871732D+00  0.581091D+00
      3   0.499166D+00  0.218789D+01  0.871732D+00 -0.753240D+00  0.132749D+01
               146           147           148           149           150 
      1   0.581091D+00  0.132749D+01  0.160152D+00  0.495927D+00 -0.174865D+00
      2   0.200216D-01  0.162332D+00  0.495927D+00 -0.141249D+00  0.707082D+00
      3   0.162332D+00  0.955434D+00 -0.174865D+00  0.707082D+00 -0.386390D+00
               151           152           153           154           155 
      1   0.218929D+01  0.328131D-01  0.299563D+01  0.126193D+01  0.925973D+00
      2   0.328131D-01  0.147718D+01  0.656855D+00  0.925973D+00  0.341842D+00
      3   0.299563D+01  0.656855D+00  0.736672D+01 -0.102548D+01 -0.357709D+00
               156           157           158           159           160 
      1  -0.102548D+01  0.107626D+01  0.197292D+01 -0.653512D+00 -0.307975D+01
      2  -0.357709D+00  0.197292D+01  0.583551D+01 -0.272147D+01 -0.233866D+01
      3   0.355729D+00 -0.653512D+00 -0.272147D+01  0.238817D+01  0.155696D+01
               161           162           163           164           165 
      1  -0.233866D+01  0.155696D+01 -0.312357D+00  0.671775D+00  0.731096D+00
      2  -0.559206D+01  0.512793D+01  0.671775D+00 -0.826406D+00 -0.200671D+00
      3   0.512793D+01 -0.634036D+01  0.731096D+00 -0.200671D+00 -0.144873D+00
               166           167           168           169           170 
      1   0.148804D+01  0.141277D+01  0.215424D+00  0.977936D+00  0.326641D+00
      2   0.141277D+01  0.910023D+01  0.275992D+01  0.326641D+00  0.474653D+01
      3   0.215424D+00  0.275992D+01  0.209480D+01  0.590820D+00  0.360342D+01
               171           172           173           174           175 
      1   0.590820D+00  0.186655D+00  0.856836D-01  0.640923D+00  0.714732D+00
      2   0.360342D+01  0.856836D-01 -0.753370D+00  0.238542D+00 -0.276759D+00
      3   0.207572D+01  0.640923D+00  0.238542D+00 -0.118814D+01  0.970094D-01
               176           177           178           179           180 
      1  -0.276759D+00  0.970094D-01  0.154403D+01 -0.587285D+00  0.719014D+00
      2  -0.553126D+00  0.644108D+00 -0.587285D+00  0.153246D+01 -0.143475D+01
      3   0.644108D+00 -0.730223D-01  0.719014D+00 -0.143475D+01  0.760678D+01
               181           182           183           184           185 
      1   0.129781D+02 -0.203371D+01 -0.276012D+00  0.802475D+00  0.852965D+00
      2  -0.203371D+01  0.145876D+01 -0.802484D-01  0.852965D+00 -0.417007D+00
      3  -0.276012D+00 -0.802484D-01  0.106495D+01  0.963922D-01 -0.363205D+00
               186           187           188           189           190 
      1   0.963922D-01 -0.167429D+01  0.361011D+00  0.124594D+01  0.214055D+00
      2  -0.363205D+00  0.361011D+00 -0.771967D+00 -0.266686D+00 -0.596834D+00
      3   0.132380D+00  0.124594D+01 -0.266686D+00  0.118197D+00 -0.484462D+00
               191           192           193           194           195 
      1  -0.596834D+00 -0.484462D+00 -0.129987D+01  0.458437D+00 -0.841224D-01
      2  -0.134744D+01 -0.738975D-01  0.458437D+00 -0.820447D+01 -0.158007D+01
      3  -0.738975D-01 -0.468535D+00 -0.841224D-01 -0.158007D+01 -0.138198D+01
               196           197           198 
      1  -0.118331D+01  0.461430D+00 -0.652594D-01
      2   0.461430D+00 -0.254675D+01 -0.145923D+01
      3  -0.652594D-01 -0.145923D+01 -0.576265D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.129479D+01 -0.156270D+00 -0.295716D+01  0.124444D+01  0.987847D-01
      2   0.591511D+00  0.111272D+01  0.266271D+01 -0.458351D+00 -0.425143D+00
      3  -0.757458D+01 -0.116190D+02 -0.212275D+00  0.845311D+01 -0.252749D+01
                 6             7             8             9            10 
      1  -0.133222D+01 -0.841169D+01  0.367847D+01  0.156961D+01  0.466972D+00
      2   0.478326D+01 -0.266780D+01  0.120411D+02  0.946861D+00 -0.126233D-01
      3  -0.932978D-01  0.801843D+00  0.188290D+01 -0.561657D+01  0.439423D+01
                11            12            13            14            15 
      1   0.599922D+00  0.457413D+00  0.113247D+01 -0.114358D+01  0.126711D+01
      2  -0.138652D+00  0.638242D+01 -0.218682D+01 -0.411737D+00 -0.807419D+00
      3  -0.828811D+01 -0.231502D+00  0.127465D+02  0.397419D+01 -0.153983D+01
                16            17            18            19            20 
      1   0.226715D+01  0.123997D+02  0.842980D+00  0.121227D+01 -0.970235D+00
      2   0.874615D+01 -0.336436D+01 -0.261879D+01  0.573190D+00 -0.981461D-01
      3   0.145700D+01 -0.218508D+00  0.249101D+01 -0.291985D+01 -0.161538D+02
                21            22            23            24            25 
      1  -0.288436D+00 -0.107463D+01  0.298872D+00 -0.179012D+01  0.435560D+01
      2  -0.135854D+00  0.120796D+01  0.163689D+01 -0.454449D+01 -0.956273D+01
      3  -0.608625D+00 -0.467223D+00  0.195195D+00 -0.380875D+00  0.570874D+00
                26            27            28            29            30 
      1   0.229138D+01 -0.797986D-01 -0.183021D+01  0.181749D+01 -0.491211D+00
      2  -0.106753D+02 -0.750624D+00 -0.303850D+01 -0.156397D+01 -0.484562D+00
      3   0.894238D+00  0.575036D+01 -0.372759D+01  0.539691D+01  0.159638D+01
                31            32            33            34            35 
      1   0.209003D+01  0.864403D+00 -0.132485D+01 -0.330065D+01  0.667267D+01
      2   0.168617D+01 -0.218371D+01 -0.113514D+01 -0.151430D+02 -0.120990D+01
      3   0.971573D+01  0.233675D+02 -0.131263D+01  0.347654D+01 -0.137973D+01
                36            37            38            39            40 
      1   0.314401D+00  0.706301D+00  0.168330D+01  0.970337D+00  0.238277D+01
      2   0.118604D+01 -0.189614D+01 -0.118845D+01 -0.283738D+00 -0.932876D+00
      3   0.363667D+01 -0.885455D+01  0.121772D+02  0.162059D+01  0.111594D+02
                41            42            43            44            45 
      1  -0.264793D+00 -0.701706D+00  0.392095D+01  0.104853D+02 -0.202485D+00
      2   0.482082D+00  0.459368D+00 -0.128779D+02  0.552195D+00  0.102787D+01
      3  -0.773222D+01 -0.153025D+01 -0.910923D+00 -0.593236D+01 -0.264452D+01
                46            47            48            49            50 
      1   0.503495D+00 -0.522245D+00  0.263586D+01 -0.493647D+00 -0.103849D+01
      2  -0.265994D+01  0.192481D+01 -0.137940D+01 -0.330732D-01  0.715772D+00
      3   0.107047D+02 -0.446085D+01 -0.247895D+01  0.674997D+01 -0.678784D+01
                51            52            53            54            55 
      1  -0.256861D+01  0.482084D+01  0.442661D+00 -0.178850D+01 -0.129024D+01
      2   0.181480D+01 -0.146635D+02  0.193125D+01  0.247638D+01 -0.208375D+00
      3  -0.322728D-01 -0.420817D+01  0.135709D+01 -0.578761D+01 -0.203368D+01
                56            57            58            59            60 
      1   0.199387D+01 -0.115198D+01  0.293787D+01 -0.103130D+01 -0.139007D+01
      2   0.925492D+00 -0.788917D+00  0.144628D+01 -0.558294D+01  0.949941D+00
      3  -0.352377D+01 -0.125915D+01  0.123046D+02  0.796299D+01  0.415154D+01
                61            62            63            64            65 
      1  -0.352321D+01  0.620052D+01  0.335770D+01 -0.338624D+01 -0.119969D+01
      2  -0.109963D+02  0.850530D+00  0.134925D+02  0.725714D+01  0.352585D+01
      3  -0.400051D+01  0.739099D+01  0.216486D+01  0.832403D+01 -0.128001D+02
                66            67            68            69            70 
      1   0.185417D+01 -0.178288D+01 -0.348438D+01 -0.253235D+01  0.423084D+01
      2  -0.208432D+01  0.417465D+01  0.328590D+01  0.330961D+00 -0.123077D+02
      3   0.157964D+01 -0.808987D+01 -0.528053D+01 -0.327048D+01  0.109259D+01
                71            72            73            74            75 
      1   0.189320D+01  0.579580D+01  0.546685D+00 -0.282686D+01 -0.185602D+00
      2  -0.150368D+01 -0.122968D+02 -0.136198D+01  0.109552D+01  0.175643D+01
      3  -0.458152D+01 -0.328966D+01 -0.791980D+01  0.172165D+00 -0.131917D+01
                76            77            78            79            80 
      1  -0.671039D+00  0.492838D+01  0.727970D+01  0.632070D+01  0.228066D+02
      2   0.175257D+00  0.435287D+00 -0.249425D+01 -0.571009D+01 -0.603407D+01
      3   0.128309D+02 -0.681754D+01  0.381238D+01 -0.456494D+00  0.829815D+01
                81            82            83            84            85 
      1  -0.656595D+01  0.350435D+00  0.377042D+00 -0.240030D+01 -0.154454D+00
      2   0.288039D+01 -0.682198D+00 -0.730572D+00  0.307004D+01 -0.172695D-01
      3   0.128359D+01 -0.135325D+01 -0.475118D+01  0.273452D+00 -0.383550D+01
                86            87            88            89            90 
      1  -0.437321D-01 -0.316924D+01  0.108992D+01  0.137312D+01  0.391475D-01
      2  -0.194244D+00  0.314169D+01 -0.992600D+00 -0.966934D+00 -0.117652D+00
      3  -0.109838D+02  0.129134D+00 -0.315618D+00 -0.688301D+00  0.126449D+00
                91            92            93            94            95 
      1   0.412377D-01 -0.444886D+00  0.607552D+00 -0.235046D+00  0.142044D+00
      2  -0.205374D+01  0.238114D+00  0.625971D+01  0.700266D+00 -0.436308D+00
      3   0.241049D+01 -0.535650D+01 -0.300503D+00 -0.447815D+01  0.186834D+01
                96            97            98            99           100 
      1  -0.376677D+00 -0.495166D+00  0.237907D+00 -0.954428D-01 -0.828468D-01
      2  -0.945086D+00 -0.217605D+01  0.401526D+00 -0.603927D+00 -0.388677D+00
      3   0.600134D+00 -0.453727D+00  0.646298D+00 -0.615337D-01  0.101656D+01
               101           102           103           104           105 
      1   0.208240D+00  0.154667D+01  0.486383D-01  0.432626D+00 -0.425914D+01
      2   0.611175D+00  0.138847D+01  0.386015D+00 -0.178510D+01 -0.279642D+01
      3  -0.269154D+01 -0.368578D+00 -0.118559D+01  0.152140D+02  0.156679D+01
               106           107           108           109           110 
      1  -0.396996D+00  0.152336D+01 -0.374910D+00  0.240435D+00 -0.606023D-03
      2  -0.666107D+00  0.514116D+00 -0.317268D+00  0.611093D+00 -0.685328D+00
      3  -0.300166D+00  0.133977D+01 -0.151189D+00 -0.674712D+01  0.569630D+01
               111           112           113           114           115 
      1   0.123846D+01 -0.323978D+00  0.690561D+00 -0.422333D+01 -0.622351D+00
      2   0.182958D+00 -0.937127D+00  0.990528D+00 -0.201793D+00 -0.904923D+00
      3   0.501648D+00  0.830248D+01 -0.124215D+02 -0.114173D+01  0.109615D+01
               116           117           118           119           120 
      1   0.187509D+01 -0.282461D+00 -0.729583D+00 -0.147041D+01  0.825427D+00
      2   0.300059D+00 -0.209955D+00 -0.124136D+01 -0.113625D-01  0.344361D+01
      3  -0.186599D+01  0.157315D+00 -0.107411D+01 -0.341357D+01  0.124046D+01
               121           122           123           124           125 
      1  -0.135126D+01 -0.641347D+00 -0.897196D+00  0.997698D+00  0.263293D+01
      2   0.364556D+00 -0.137379D+00 -0.969731D+00  0.231396D+01 -0.548027D+00
      3  -0.262995D+01 -0.931303D+00  0.217582D+01  0.209829D+01  0.225109D+01
               126           127           128           129           130 
      1  -0.378910D+01  0.271223D+01  0.494362D-01  0.303309D+01 -0.231938D+01
      2  -0.151585D+02  0.807568D+01 -0.207421D+01  0.576193D+01 -0.280299D+01
      3  -0.388745D+00  0.207205D+02 -0.122079D+02 -0.160837D+01 -0.177457D+01
               131           132           133           134           135 
      1   0.905309D+01 -0.280323D+00 -0.349358D-02  0.470544D+01 -0.102347D+02
      2   0.688316D+01  0.419016D+00 -0.665510D+00  0.296702D+01 -0.160199D+02
      3  -0.181709D+02 -0.778450D+01 -0.136086D+01 -0.755156D+01 -0.451948D+01
               136           137           138           139           140 
      1   0.237375D+01  0.585918D+00 -0.248741D+01  0.723272D+00  0.762896D+00
      2  -0.483035D+01 -0.185236D+01  0.575615D+01 -0.177057D+01 -0.190214D+01
      3   0.482010D+01 -0.389440D+01 -0.972576D+00  0.469960D+00 -0.213267D+01
               141           142           143           144           145 
      1  -0.149704D+01 -0.275174D+01  0.117645D+00  0.118844D+01 -0.111727D+01
      2   0.190335D+01  0.412972D+01  0.193613D+01 -0.264937D+01  0.179035D+01
      3   0.127965D+01 -0.225832D+01  0.299509D+01  0.827335D+00 -0.273367D+00
               146           147           148           149           150 
      1   0.181868D+00 -0.142662D+01  0.306608D+00 -0.133152D+01 -0.269404D+00
      2  -0.270338D+00  0.316619D+01 -0.761526D+00  0.119803D+01 -0.694091D+00
      3  -0.203880D+00  0.138742D+01  0.185484D+01  0.228971D+01 -0.173049D+01
               151           152           153           154           155 
      1  -0.363485D+01  0.266533D+01 -0.858798D+01  0.209072D+01  0.291056D+00
      2   0.309969D+01  0.156377D+01  0.161163D+02  0.450821D+00 -0.225059D+00
      3   0.367411D+01 -0.541427D+01  0.199239D+01  0.430122D+01  0.498233D+00
               156           157           158           159           160 
      1  -0.729447D+00  0.144916D+01  0.390669D+01 -0.671596D+01 -0.364903D+01
      2   0.115518D+01  0.404154D-01 -0.199396D+01  0.206174D+01 -0.297049D+00
      3  -0.236564D+01  0.171047D+01 -0.278077D+00  0.685879D+00 -0.655008D+01
               161           162           163           164           165 
      1  -0.917314D+01  0.143172D+02 -0.110377D+01  0.660414D+00  0.514165D+00
      2   0.406914D+01 -0.504099D+01  0.239336D+00 -0.403114D+00  0.647148D+00
      3  -0.685553D+00 -0.722417D+00 -0.108016D+01 -0.284460D+00  0.173968D+01
               166           167           168           169           170 
      1  -0.172336D+01 -0.794198D+01 -0.752659D+01 -0.175789D+01 -0.811941D+01
      2  -0.266583D+00  0.230880D+01  0.165953D+01 -0.585906D+00  0.248282D+01
      3   0.476956D+01 -0.456941D+01 -0.225713D+01  0.420749D+01 -0.396262D+01
               171           172           173           174           175 
      1  -0.654436D+01  0.844826D+00 -0.534194D+00 -0.185112D+01 -0.136380D+00
      2   0.135216D+01  0.223594D+01  0.497149D+00 -0.228314D+01  0.197728D+00
      3  -0.213037D+01 -0.299486D+00  0.151951D+01 -0.159775D+01  0.122815D+01
               176           177           178           179           180 
      1   0.114347D+01 -0.113217D+01  0.450074D+00  0.125661D+01  0.134762D+02
      2   0.147734D+01 -0.444545D+00 -0.225845D+01 -0.312106D+01  0.192214D+02
      3   0.162176D+01 -0.152277D+01 -0.149160D+01 -0.357456D+01  0.360248D+01
               181           182           183           184           185 
      1  -0.210802D+00  0.149839D+00  0.201264D+01  0.291905D+00 -0.678158D+00
      2  -0.405589D+01 -0.970101D-02  0.595721D+01  0.230560D+00 -0.103818D+01
      3  -0.179133D+02 -0.451236D+01  0.973661D+00 -0.184215D+01 -0.130599D+00
               186           187           188           189           190 
      1  -0.423689D+00  0.148271D+01  0.324481D+00  0.223566D+00 -0.104361D+01
      2   0.545529D+00  0.214808D+01 -0.361778D+00  0.156176D+00 -0.129070D+01
      3   0.113667D+01  0.156720D+01  0.194966D+01 -0.106472D+01  0.406668D+01
               191           192           193           194           195 
      1  -0.472992D+00 -0.172650D+01 -0.445702D+00 -0.547192D+01 -0.573453D+01
      2   0.698151D-01 -0.551824D+00 -0.442656D+00 -0.332294D+01 -0.303621D+01
      3   0.468365D+01  0.166196D+01  0.539020D+01  0.232826D+02  0.516444D+01
               196           197           198 
      1  -0.377083D+00 -0.227234D+01 -0.183120D+01
      2  -0.134496D+01 -0.283691D+01 -0.117838D+01
      3   0.226437D+01  0.684971D+01  0.434436D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.180857D+01 -0.218069D+02 -0.145480D+01  0.269087D+02  0.544819D+01
      2  -0.601518D+01  0.158315D+02  0.755254D-01 -0.267033D+02 -0.111647D+02
      3   0.420661D+01  0.597542D+01  0.137928D+01 -0.205393D+00  0.571655D+01
      4  -0.210790D+02  0.445796D+01  0.479323D+01  0.470789D+01 -0.155957D+02
      5   0.124014D+01  0.542045D+01  0.651005D+01 -0.929522D+00 -0.266787D+01
      6   0.463800D+01  0.247172D+01  0.661129D+01 -0.300951D+01  0.689408D+00
                 6             7             8             9            10 
      1  -0.165197D+00  0.656744D+01  0.605613D+01  0.275001D+01 -0.120109D+02
      2   0.111725D+01 -0.465456D+01 -0.496079D+01 -0.816516D+01  0.754560D+01
      3  -0.952057D+00 -0.191289D+01 -0.109533D+01  0.541514D+01  0.446526D+01
      4  -0.362457D+01  0.471669D+01 -0.271230D+01  0.169863D+02  0.592020D+01
      5   0.105126D+02  0.229292D+02  0.189484D+02  0.163351D+01  0.958292D+01
      6   0.422899D+01  0.113441D+02  0.144847D+02 -0.247059D+01 -0.477166D+00
                11            12            13            14            15 
      1   0.314059D+01  0.646874D+01 -0.116931D+02 -0.242919D+02 -0.233652D+01
      2  -0.124558D+01 -0.395133D+01  0.977107D+01  0.233994D+02  0.309967D+01
      3  -0.189502D+01 -0.251741D+01  0.192207D+01  0.892513D+00 -0.763155D+00
      4   0.229752D+02 -0.506470D+00 -0.247508D+02  0.794089D+01  0.332454D+01
      5  -0.108104D+01  0.137813D+02 -0.522781D+01  0.265822D+01 -0.195174D+01
      6  -0.140068D+01 -0.122968D+01  0.295037D+01 -0.103248D+01 -0.334699D+01
                16            17            18            19            20 
      1   0.107521D+02 -0.380059D+01  0.158505D+02  0.137160D+02  0.207903D+02
      2  -0.410982D+01  0.267943D+01 -0.207690D+02 -0.137040D+02 -0.146678D+02
      3  -0.664231D+01  0.112116D+01  0.491847D+01 -0.120146D-01 -0.612251D+01
      4  -0.616991D+01 -0.965738D+00 -0.176657D+01  0.973617D+01 -0.129073D+02
      5   0.367509D+02 -0.366273D+01 -0.558247D+01  0.135815D+01 -0.443599D+01
      6  -0.302319D+00  0.335686D+01 -0.123808D+01 -0.246284D+01  0.552376D+01
                21            22            23            24            25 
      1  -0.784178D+00 -0.223587D+02  0.135249D+02  0.191930D+01  0.289554D+00
      2   0.612478D+00  0.205203D+02 -0.215803D+02 -0.400617D+01  0.226068D+01
      3   0.171700D+00  0.183841D+01  0.805536D+01  0.208687D+01 -0.255023D+01
      4  -0.394124D+01  0.756081D+01  0.567141D+01  0.205472D+01 -0.451734D+01
      5  -0.147503D+01 -0.282936D+00  0.247809D+01 -0.899972D+01  0.112349D+02
      6  -0.744242D+00  0.145422D+01 -0.508847D+01  0.487358D+01 -0.831607D+01
                26            27            28            29            30 
      1  -0.232263D+01 -0.390308D+01 -0.993570D+01 -0.270027D+02 -0.288171D+00
      2  -0.275287D+01 -0.432041D+01  0.892846D+01  0.212137D+02 -0.158666D+01
      3   0.507550D+01  0.822349D+01  0.100723D+01  0.578899D+01  0.187483D+01
      4   0.660422D+01 -0.173263D+02 -0.781350D+01 -0.786152D+01 -0.622254D+00
      5  -0.168149D+02 -0.213436D+01 -0.120877D+01 -0.152024D+00 -0.864455D-01
      6   0.141049D+02  0.225590D+01 -0.831011D+00 -0.381951D+01  0.178218D+01
                31            32            33            34            35 
      1  -0.116037D+02 -0.115816D+02 -0.198832D+00  0.149303D+01  0.733869D+00
      2   0.566158D+00  0.110984D+02  0.529015D+00 -0.286892D+01 -0.924942D+00
      3   0.110376D+02  0.483187D+00 -0.330183D+00  0.137589D+01  0.191073D+00
      4   0.642127D+01 -0.780914D+01 -0.211299D+01 -0.135973D+01  0.185135D+01
      5  -0.315911D+01 -0.218559D+01  0.103347D+00  0.143094D+01 -0.236592D+01
      6  -0.775187D+01 -0.213017D+01  0.331759D+01  0.296712D+01  0.947182D+01
                36            37            38            39            40 
      1  -0.123114D+02 -0.233964D+02  0.467990D+01 -0.666879D+00 -0.225866D+01
      2   0.176041D+01  0.737295D+01 -0.982343D+00  0.517828D+00  0.501378D+01
      3   0.105510D+02  0.160234D+02 -0.369756D+01  0.149052D+00 -0.275512D+01
      4  -0.805943D+00 -0.726664D+01  0.834554D+01  0.955357D+00 -0.991846D+01
      5   0.183097D+01 -0.848436D+01 -0.158103D+00  0.218038D+01  0.638628D+00
      6  -0.873926D+00  0.633037D+00 -0.194111D+01 -0.124507D+01  0.535606D+01
                41            42            43            44            45 
      1  -0.138457D+01  0.372826D+00  0.422431D+01 -0.212757D+01 -0.867748D+01
      2   0.876194D+01  0.112347D+01 -0.778384D+00  0.275277D+01 -0.374994D+01
      3  -0.737737D+01 -0.149630D+01 -0.344593D+01 -0.625203D+00  0.124274D+02
      4   0.608662D+01  0.325274D+01 -0.149117D+01  0.339039D+01 -0.177083D+01
      5   0.221938D+01 -0.138383D+00  0.308426D+01  0.101656D+01  0.170319D+00
      6   0.132056D+01 -0.369053D+00 -0.121364D+01  0.333938D+01  0.139204D+00
                46            47            48            49            50 
      1   0.552681D+01  0.759934D+01 -0.991979D+00  0.264577D+01  0.863623D+01
      2  -0.384373D+01 -0.863142D+01  0.108109D+01  0.637069D+01 -0.156040D+02
      3  -0.168308D+01  0.103208D+01 -0.891078D-01 -0.901646D+01  0.696773D+01
      4   0.112006D+02 -0.193571D+02 -0.171768D+01  0.160573D+02  0.122626D+02
      5   0.729300D+00 -0.184625D+01 -0.382742D+01  0.165643D+01  0.667536D+00
      6  -0.354190D+01  0.244330D+01 -0.486112D+01  0.429677D+00 -0.498502D+01
                51            52            53            54            55 
      1   0.223277D+01 -0.147294D+01  0.625465D+00 -0.168826D+02  0.177658D+02
      2  -0.362628D+01  0.272495D+01 -0.428664D+01  0.580377D+01 -0.426872D+01
      3   0.139350D+01 -0.125201D+01  0.366117D+01  0.110788D+02 -0.134971D+02
      4   0.189482D+00  0.275563D+01  0.474981D+01  0.653247D+01  0.117635D+02
      5   0.141094D+01  0.992569D+00  0.685308D+01  0.490398D+01  0.609030D+01
      6   0.612443D+01 -0.308024D+01  0.189237D+02  0.511052D+01 -0.494685D+00
                56            57            58            59            60 
      1   0.967301D+00 -0.104923D+01  0.497880D+01 -0.807262D+01  0.136419D+01
      2   0.175473D+01 -0.405536D+01 -0.368827D+00  0.723814D+00  0.100112D+01
      3  -0.272203D+01  0.510459D+01 -0.460997D+01  0.734880D+01 -0.236531D+01
      4  -0.114444D+02 -0.310103D-01 -0.222846D+02 -0.652471D+01 -0.764147D+01
      5   0.101743D+01 -0.959118D+01  0.181850D+01 -0.761791D+01  0.337394D+01
      6  -0.351648D+01  0.307032D+01 -0.594337D+01  0.289440D+01 -0.216512D+01
                61            62            63            64            65 
      1  -0.113120D+02  0.224379D+01  0.426412D+01 -0.176773D+02 -0.182679D+02
      2  -0.119004D+02  0.345859D+01  0.123237D+02  0.294876D+01  0.967891D+01
      3   0.232125D+02 -0.570237D+01 -0.165878D+02  0.147286D+02  0.858896D+01
      4   0.117883D+00 -0.120073D+02  0.540525D+01 -0.232375D+02 -0.697484D+01
      5  -0.176598D+02  0.331717D+01  0.368628D+02  0.151062D+02  0.558774D+01
      6   0.621195D+01 -0.334073D+00 -0.866375D+01  0.657192D+01  0.329454D+01
                66            67            68            69            70 
      1   0.907619D+01 -0.200463D+02  0.715462D+00  0.175282D+01  0.150482D+02
      2  -0.146982D+01  0.106866D+02  0.196462D+01  0.746902D+00  0.700813D-01
      3  -0.760638D+01  0.935969D+01 -0.268008D+01 -0.249972D+01 -0.151183D+02
      4   0.662762D+01 -0.370438D+01  0.123607D+02  0.693334D+01  0.137194D+02
      5  -0.839800D+01  0.667305D+01  0.573379D+01  0.866646D+00 -0.144617D+02
      6  -0.363410D+01  0.447930D+01  0.591518D+01  0.183086D+01 -0.694470D+01
                71            72            73            74            75 
      1   0.741160D+01 -0.911125D+01 -0.467708D+01  0.118388D+02 -0.438906D+01
      2  -0.243658D+01  0.160412D+02  0.785858D+01 -0.696351D+01  0.452573D+01
      3  -0.497502D+01 -0.692998D+01 -0.318150D+01 -0.487526D+01 -0.136667D+00
      4   0.906471D+01 -0.695239D+01  0.428357D+01  0.449562D+01  0.961270D-01
      5  -0.255745D+01 -0.273720D+02 -0.147762D+01  0.910355D+00 -0.109246D+01
      6   0.321332D+01 -0.995456D+01  0.143165D+01  0.654972D+01 -0.433118D+00
                76            77            78            79            80 
      1   0.246450D+02  0.318969D+02  0.117794D+00 -0.102866D+02 -0.305075D+01
      2  -0.192881D+02 -0.337028D+02 -0.771213D+01  0.702310D+01 -0.765980D+01
      3  -0.535683D+01  0.180591D+01  0.759434D+01  0.326345D+01  0.107106D+02
      4   0.110742D+01 -0.680654D+01  0.308990D+00  0.813002D+00  0.316252D+01
      5   0.242883D+01  0.118513D+01 -0.649341D+01 -0.209977D+01 -0.101024D+02
      6   0.546903D+01 -0.542207D+01 -0.218308D+02 -0.117021D+02 -0.409956D+02
                81            82            83            84            85 
      1   0.284284D+02  0.257345D+02  0.161391D+02 -0.276538D+00  0.101316D+02
      2  -0.269159D+02 -0.465650D+01  0.817238D+00  0.735500D-01  0.805302D+01
      3  -0.151249D+01 -0.210780D+02 -0.169564D+02  0.202988D+00 -0.181846D+02
      4  -0.772721D+01  0.389733D+02  0.343784D+02 -0.112088D+01  0.383646D+02
      5   0.779684D+01 -0.363395D+00 -0.625793D+00  0.567782D+01  0.802349D+00
      6   0.167490D+02 -0.119988D+01 -0.118248D+01  0.322781D+01 -0.252978D+00
                86            87            88            89            90 
      1   0.461886D+01  0.211622D+00 -0.182999D+01 -0.128162D+01 -0.108948D+00
      2   0.178633D+02 -0.396630D+00  0.984509D+00  0.971692D+00  0.107702D+01
      3  -0.224821D+02  0.185008D+00  0.845485D+00  0.309928D+00 -0.968070D+00
      4   0.476858D+02 -0.445714D-01 -0.150906D+01 -0.565002D+00  0.253863D+01
      5   0.868652D+00  0.468551D+01  0.178223D+01  0.126326D+01 -0.358352D+00
      6  -0.655654D+00  0.524111D+01  0.142196D+01  0.229510D+01 -0.121247D+00
                91            92            93            94            95 
      1   0.102025D+03 -0.100525D+02 -0.906911D+01 -0.988686D+01  0.105900D+02
      2  -0.597002D+02  0.549635D+01  0.633263D+01  0.481190D+01 -0.537201D+01
      3  -0.423251D+02  0.455612D+01  0.273648D+01  0.507496D+01 -0.521795D+01
      4  -0.145273D+02  0.957236D+01  0.133181D+01  0.172248D+02 -0.493980D+01
      5  -0.131452D+02  0.132318D+01  0.109737D+02  0.234188D+01 -0.170169D+01
      6   0.184788D+00 -0.646202D+00 -0.664940D+00 -0.127773D+01  0.245320D+00
                96            97            98            99           100 
      1   0.139588D+01 -0.120536D+02  0.149911D+01  0.376891D+01  0.574168D+01
      2  -0.996273D+00  0.750378D+01 -0.824239D+00 -0.254895D+01  0.240794D+01
      3  -0.399602D+00  0.454978D+01 -0.674869D+00 -0.121996D+01 -0.814961D+01
      4  -0.180003D+01  0.278358D+01 -0.131995D+01 -0.116868D+01 -0.185441D+02
      5  -0.137608D+01  0.461480D+01 -0.467922D+00 -0.247408D+01 -0.205689D+01
      6   0.177669D+01 -0.493804D+00  0.938756D+00  0.416087D+00  0.185753D+01
               101           102           103           104           105 
      1  -0.475616D+01 -0.534965D+00  0.219687D+00 -0.146529D+02 -0.163076D+01
      2  -0.407179D+01 -0.360943D-01 -0.104783D+02  0.352755D+02  0.251801D+01
      3   0.882795D+01  0.571059D+00  0.102586D+02 -0.206226D+02 -0.887248D+00
      4   0.220994D+02  0.278517D+01  0.253592D+02 -0.477179D+02 -0.476138D+01
      5   0.239671D+01  0.356813D+01  0.228524D+01 -0.359691D+01 -0.465241D+01
      6  -0.221937D+01 -0.239542D+01 -0.262704D+01  0.647848D+01  0.713179D+01
               106           107           108           109           110 
      1  -0.687734D+00 -0.950479D+00 -0.189196D+01 -0.438748D+01  0.781768D+01
      2  -0.794259D+00  0.294137D+01  0.254937D+01  0.652209D+01 -0.970539D+01
      3   0.148199D+01 -0.199089D+01 -0.657414D+00 -0.213461D+01  0.188771D+01
      4   0.418820D+01 -0.589693D+01 -0.211508D+01 -0.358970D+01  0.786974D+01
      5   0.150420D+01 -0.146606D+01 -0.973861D+00  0.392452D+00  0.142523D-01
      6  -0.161091D+01  0.378245D+01  0.144537D+01  0.123211D+01 -0.229051D+01
               111           112           113           114           115 
      1   0.151694D+01  0.631112D+01 -0.374838D+02 -0.411959D+01  0.117889D+01
      2  -0.110944D+01 -0.827116D+01  0.523765D+02  0.419760D+01 -0.151395D+01
      3  -0.407506D+00  0.196004D+01 -0.148927D+02 -0.780138D-01  0.335063D+00
      4   0.336243D+00  0.600643D+01  0.302619D+01  0.553009D+00  0.270535D+00
      5   0.952101D+00 -0.479454D-01  0.184872D+01  0.634233D+00  0.603453D+00
      6  -0.154235D+01 -0.117357D+01  0.781690D+01  0.734111D+01 -0.354406D+00
               116           117           118           119           120 
      1  -0.366240D+01 -0.179287D+01  0.517861D+01 -0.812308D+00 -0.414131D+01
      2   0.442225D+01  0.195163D+01 -0.847045D+01  0.228010D+00  0.613230D+01
      3  -0.759846D+00 -0.158751D+00  0.329184D+01  0.584298D+00 -0.199099D+01
      4  -0.556907D+00 -0.138977D+01 -0.439971D+01  0.710465D+01  0.179522D+01
      5  -0.555169D+00 -0.506880D+00 -0.115863D+02  0.120587D+01  0.148784D+02
      6   0.320337D+01  0.153004D+01  0.208815D+01  0.404344D-01 -0.163723D+01
               121           122           123           124           125 
      1  -0.350866D+00 -0.165009D+01 -0.354074D+00 -0.154463D+01 -0.101572D+01
      2  -0.646059D+00 -0.695512D+00  0.258425D+00  0.139998D+02 -0.126906D+01
      3   0.996925D+00  0.234560D+01  0.956492D-01 -0.124551D+02  0.228479D+01
      4   0.103428D+02 -0.308705D+01 -0.424025D+01  0.496747D+01 -0.598807D+01
      5   0.379427D+00 -0.417282D+01 -0.144225D+01  0.241696D+02 -0.388694D+01
      6  -0.175797D+01  0.111925D+01  0.767641D+01 -0.433118D+01  0.523600D+01
               126           127           128           129           130 
      1  -0.128087D+02 -0.609032D+02  0.958577D+01  0.424094D+01 -0.292707D+01
      2  -0.229339D+02  0.345371D+02 -0.132254D+02 -0.455615D+01 -0.429665D+01
      3   0.357426D+02  0.263661D+02  0.363967D+01  0.315215D+00  0.722372D+01
      4  -0.394603D+01  0.143772D+02  0.137751D+02 -0.330717D+01  0.213934D+02
      5  -0.397530D+02  0.490778D+01 -0.137769D+01  0.816371D+01 -0.392289D+01
      6   0.930645D+01 -0.660004D+01  0.246200D+01 -0.564463D+01  0.433813D+01
               131           132           133           134           135 
      1   0.239390D+02  0.535116D+01  0.999604D+01  0.300587D+01  0.159372D+02
      2  -0.271730D+02 -0.113078D+02 -0.172892D+01 -0.126050D+02  0.113713D+00
      3   0.323398D+01  0.595661D+01 -0.826712D+01  0.959913D+01 -0.160509D+02
      4   0.436375D+01  0.124639D+02 -0.965852D+01  0.145153D+02 -0.237950D+01
      5   0.148376D+02  0.514941D+00  0.703405D+01  0.208199D+01 -0.263456D+02
      6  -0.132268D+02 -0.101105D+00 -0.408874D+01 -0.163570D+01  0.177115D+02
               136           137           138           139           140 
      1   0.500005D+02  0.144350D+02 -0.945923D+01  0.110937D+02  0.586459D+01
      2  -0.224724D+02 -0.349018D+01  0.425673D+01 -0.120306D+01  0.274148D+01
      3  -0.275281D+02 -0.109449D+02  0.520251D+01 -0.989061D+01 -0.860608D+01
      4   0.353905D+02  0.203059D+02 -0.687543D+01  0.203882D+02  0.140520D+02
      5  -0.142548D+02 -0.461273D+01  0.106786D+02 -0.432972D+01 -0.514070D+01
      6  -0.593119D+01 -0.308154D+01  0.442661D+01 -0.320990D+01 -0.323758D+01
               141           142           143           144           145 
      1  -0.151732D+01 -0.153951D+02 -0.317386D+01  0.716259D+01  0.715311D+01
      2  -0.680708D+00  0.803290D+01  0.614355D-01 -0.605391D+01 -0.627723D+01
      3   0.219802D+01  0.736224D+01  0.311243D+01 -0.110868D+01 -0.875881D+00
      4  -0.562370D+01 -0.124647D+02 -0.953071D+01  0.806418D+01  0.553759D+01
      5   0.342003D+01  0.154504D+02  0.587891D+01 -0.697096D+01  0.804475D+01
      6   0.318091D+01  0.712786D+01  0.399396D+01 -0.346529D+01  0.239275D+01
               146           147           148           149           150 
      1   0.355505D+01  0.475386D+01  0.394817D+00 -0.107793D+01 -0.157797D+01
      2  -0.204277D+01 -0.490739D+01  0.136231D+01 -0.120675D+01  0.232800D+01
      3  -0.151228D+01  0.153526D+00 -0.175713D+01  0.228468D+01 -0.750032D+00
      4   0.275850D+01  0.231309D+01  0.392540D+01 -0.857763D+00  0.370369D+01
      5   0.667793D+00  0.955614D+01 -0.135383D+01  0.356008D+01 -0.207842D+01
      6   0.104204D+01  0.192240D+01  0.124404D+01  0.103513D+01  0.478042D+01
               151           152           153           154           155 
      1   0.800604D+01 -0.224658D+01 -0.151792D+01  0.430225D+00  0.510836D+00
      2  -0.114841D+02  0.171215D+01 -0.188513D+02 -0.108448D+01 -0.233304D+00
      3   0.347804D+01  0.534423D+00  0.203692D+02  0.654254D+00 -0.277533D+00
      4   0.475239D+01  0.766574D+01  0.698969D+01  0.344107D+01  0.706371D+01
      5   0.185044D+02  0.362253D+01  0.348220D+02 -0.239148D+01 -0.377189D+01
      6   0.648169D+01  0.475303D+01  0.153675D+02 -0.630035D+01 -0.199302D+01
               156           157           158           159           160 
      1  -0.523950D+00 -0.573302D+01 -0.244892D+02  0.117824D+02  0.501590D+01
      2  -0.571977D-01  0.690703D+01  0.278515D+02 -0.108345D+02 -0.359930D+01
      3   0.581148D+00 -0.117401D+01 -0.336230D+01 -0.947938D+00 -0.141661D+01
      4  -0.539128D+01  0.562467D+01  0.879986D+01 -0.437861D+01 -0.971494D+01
      5   0.595525D+01 -0.229087D+01 -0.501691D+01  0.434609D+01  0.723388D+01
      6   0.166964D+01 -0.466222D+01 -0.187221D+02  0.181064D+02  0.101518D+02
               161           162           163           164           165 
      1   0.238131D+02 -0.262716D+02 -0.357691D+00  0.418010D+01  0.236055D+01
      2  -0.188422D+02  0.129001D+02  0.241340D+01 -0.474273D+01 -0.188747D+01
      3  -0.497087D+01  0.133715D+02 -0.205571D+01  0.562632D+00 -0.473073D+00
      4  -0.971602D+01  0.744026D+01  0.113405D+01  0.751837D+01  0.363123D+01
      5   0.993823D+01 -0.113452D+02  0.108299D+01  0.179107D+01  0.236191D+01
      6   0.337744D+02 -0.351304D+02  0.460225D+01 -0.144062D+01 -0.863463D+00
               166           167           168           169           170 
      1  -0.346146D+01 -0.365243D+02 -0.112160D+02  0.217646D+00 -0.195973D+02
      2   0.521646D+01  0.524985D+02  0.160494D+02  0.152451D+01  0.256365D+02
      3  -0.175500D+01 -0.159742D+02 -0.483338D+01 -0.174215D+01 -0.603921D+01
      4   0.684599D+01  0.105202D+02  0.310100D+01  0.520730D+01  0.545915D+01
      5   0.171180D+01  0.370627D+01  0.319915D+01  0.352116D+01  0.533388D+01
      6   0.206141D+01  0.220196D+02  0.159507D+02  0.433540D+01  0.257415D+02
               171           172           173           174           175 
      1  -0.162435D+02  0.377682D+01 -0.269642D+01  0.584353D+01  0.108805D+01
      2   0.149888D+02 -0.393776D+01  0.302860D+01 -0.109720D+01 -0.957797D+00
      3   0.125468D+01  0.160944D+00 -0.332181D+00 -0.474633D+01 -0.130253D+00
      4   0.423572D+01 -0.437907D+00 -0.202384D+01 -0.175980D+01 -0.737796D+00
      5   0.219582D+01  0.217543D+01  0.114666D+00 -0.387268D+00  0.696632D+00
      6   0.149370D+02 -0.163203D+01 -0.166211D+01  0.355620D+01  0.225789D-01
               176           177           178           179           180 
      1  -0.597475D+01  0.229054D+01  0.640906D+01  0.374136D+01 -0.179886D+02
      2   0.427482D+01 -0.247194D+01 -0.376176D+01 -0.259602D+01 -0.924687D+01
      3   0.169993D+01  0.181400D+00 -0.264730D+01 -0.114534D+01  0.272355D+02
      4  -0.126799D+01  0.238588D+01 -0.679973D+01  0.752730D+01 -0.330026D+01
      5   0.197329D+01 -0.382079D+00  0.774212D+01 -0.636804D+01  0.326810D+02
      6  -0.219317D+01  0.606733D+01 -0.221462D+01  0.916549D+01 -0.256262D+02
               181           182           183           184           185 
      1   0.875482D+02 -0.878438D+01 -0.340566D+01  0.596373D+01  0.414297D+01
      2  -0.450104D+02  0.114451D+01  0.139669D+01 -0.600638D+01  0.571863D+00
      3  -0.425378D+02  0.763987D+01  0.200898D+01  0.426466D-01 -0.471484D+01
      4  -0.371803D+02  0.161235D+02  0.722835D+00  0.814757D+01 -0.353212D+01
      5   0.203407D+01 -0.568519D+00  0.100716D+02  0.590017D+00 -0.163935D+01
      6   0.173579D+01  0.802941D+00 -0.391727D+01  0.249449D+00  0.120866D+01
               186           187           188           189           190 
      1  -0.784142D+00 -0.774380D+01 -0.294971D+00  0.608422D+01  0.263069D+01
      2   0.130953D+01  0.413004D+01  0.207618D+01 -0.507510D+01  0.106055D+01
      3  -0.525388D+00  0.361376D+01 -0.178121D+01 -0.100911D+01 -0.369125D+01
      4  -0.179089D+01  0.422853D+01 -0.387533D+01 -0.301081D+01 -0.165831D+01
      5   0.933803D+00  0.115944D+02 -0.182129D+01 -0.540370D+00 -0.156578D+01
      6   0.669654D+00 -0.348220D+01  0.185247D+01 -0.624638D+00  0.210310D+01
               191           192           193           194           195 
      1  -0.836211D+01 -0.227906D+01 -0.541026D+01 -0.275504D+02 -0.589058D+01
      2   0.945944D+01  0.223626D+01  0.163875D+01  0.478114D+02  0.975335D+01
      3  -0.109733D+01  0.428038D-01  0.377150D+01 -0.202609D+02 -0.386276D+01
      4  -0.239684D+00  0.138480D+01  0.868665D+01 -0.326074D+02 -0.604287D+01
      5  -0.319976D+00 -0.125346D+01 -0.478146D+00 -0.799700D+01 -0.648676D+01
      6   0.563176D+00  0.254619D+01 -0.178156D+00  0.745015D+01  0.871301D+01
               196           197           198 
      1  -0.434525D+01 -0.660550D+01 -0.753465D+01
      2   0.146679D+01  0.114461D+02  0.632218D+01
      3   0.287845D+01 -0.484064D+01  0.121248D+01
      4   0.516447D+01 -0.108563D+02 -0.453312D+01
      5   0.812073D+00 -0.616128D+01 -0.233002D+01
      6   0.116946D+00  0.936948D+01  0.469962D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:35:51 2021, MaxMem=  5637144576 cpu:           11246.2 elap:            1416.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19205 -10.18639 -10.18570 -10.18488 -10.18462
 Alpha  occ. eigenvalues --  -10.18421 -10.18404 -10.18364 -10.18291 -10.17771
 Alpha  occ. eigenvalues --   -0.86876  -0.81052  -0.75981  -0.72298  -0.70678
 Alpha  occ. eigenvalues --   -0.64611  -0.60652  -0.57414  -0.56106  -0.50760
 Alpha  occ. eigenvalues --   -0.47394  -0.46372  -0.44411  -0.43031  -0.42774
 Alpha  occ. eigenvalues --   -0.40919  -0.38920  -0.37649  -0.37257  -0.35418
 Alpha  occ. eigenvalues --   -0.34255  -0.33456  -0.32899  -0.32472  -0.25228
 Alpha  occ. eigenvalues --   -0.23972
 Alpha virt. eigenvalues --   -0.01455  -0.00528   0.02136   0.03355   0.03755
 Alpha virt. eigenvalues --    0.05389   0.06142   0.06365   0.07140   0.08710
 Alpha virt. eigenvalues --    0.09384   0.09703   0.11490   0.11752   0.12609
 Alpha virt. eigenvalues --    0.13237   0.14037   0.14951   0.15131   0.16005
 Alpha virt. eigenvalues --    0.16225   0.16488   0.17198   0.17471   0.18608
 Alpha virt. eigenvalues --    0.19524   0.20301   0.21091   0.22105   0.22837
 Alpha virt. eigenvalues --    0.23440   0.24589   0.25325   0.26416   0.26669
 Alpha virt. eigenvalues --    0.27274   0.27619   0.28575   0.28833   0.29725
 Alpha virt. eigenvalues --    0.29992   0.30580   0.30961   0.32286   0.32530
 Alpha virt. eigenvalues --    0.32717   0.33380   0.33772   0.34504   0.34539
 Alpha virt. eigenvalues --    0.35314   0.35469   0.35873   0.36008   0.36648
 Alpha virt. eigenvalues --    0.36966   0.37747   0.38172   0.39033   0.39311
 Alpha virt. eigenvalues --    0.39610   0.39713   0.39978   0.40855   0.41256
 Alpha virt. eigenvalues --    0.41806   0.42115   0.42894   0.43055   0.44427
 Alpha virt. eigenvalues --    0.45207   0.45349   0.45638   0.46611   0.46803
 Alpha virt. eigenvalues --    0.47453   0.47856   0.48024   0.48561   0.49194
 Alpha virt. eigenvalues --    0.49446   0.50284   0.50644   0.51772   0.52340
 Alpha virt. eigenvalues --    0.52998   0.53784   0.55097   0.56261   0.56466
 Alpha virt. eigenvalues --    0.57469   0.57721   0.58794   0.59278   0.59807
 Alpha virt. eigenvalues --    0.59944   0.61013   0.61424   0.61989   0.62845
 Alpha virt. eigenvalues --    0.63758   0.63987   0.65093   0.65780   0.66738
 Alpha virt. eigenvalues --    0.68601   0.69020   0.69895   0.71605   0.72632
 Alpha virt. eigenvalues --    0.73988   0.74977   0.75931   0.76447   0.77845
 Alpha virt. eigenvalues --    0.78777   0.79651   0.81025   0.82582   0.85024
 Alpha virt. eigenvalues --    0.85635   0.86530   0.88853   0.90918   0.92356
 Alpha virt. eigenvalues --    0.92663   0.93469   0.94929   0.96018   0.96929
 Alpha virt. eigenvalues --    0.98217   0.99470   1.00667   1.00952   1.01297
 Alpha virt. eigenvalues --    1.02550   1.03748   1.04309   1.05997   1.06931
 Alpha virt. eigenvalues --    1.07485   1.10114   1.10801   1.11701   1.12603
 Alpha virt. eigenvalues --    1.13319   1.14406   1.15594   1.18256   1.18772
 Alpha virt. eigenvalues --    1.20922   1.22438   1.23489   1.24586   1.25199
 Alpha virt. eigenvalues --    1.26399   1.27158   1.29518   1.29782   1.30897
 Alpha virt. eigenvalues --    1.32611   1.35397   1.36601   1.38456   1.41737
 Alpha virt. eigenvalues --    1.42986   1.43365   1.46543   1.48690   1.49616
 Alpha virt. eigenvalues --    1.51711   1.53001   1.58359   1.61152   1.61254
 Alpha virt. eigenvalues --    1.63913   1.64731   1.65749   1.67983   1.69829
 Alpha virt. eigenvalues --    1.72028   1.73360   1.74647   1.76390   1.77488
 Alpha virt. eigenvalues --    1.79025   1.80847   1.83152   1.84087   1.86098
 Alpha virt. eigenvalues --    1.86789   1.89332   1.89581   1.90971   1.91845
 Alpha virt. eigenvalues --    1.93282   1.97868   1.99993   2.00670   2.01079
 Alpha virt. eigenvalues --    2.01617   2.03266   2.04592   2.05468   2.08023
 Alpha virt. eigenvalues --    2.08401   2.10310   2.12611   2.13401   2.14757
 Alpha virt. eigenvalues --    2.17000   2.17946   2.18602   2.21679   2.22345
 Alpha virt. eigenvalues --    2.23417   2.28226   2.29148   2.35209   2.36236
 Alpha virt. eigenvalues --    2.37910   2.39001   2.39427   2.41294   2.42299
 Alpha virt. eigenvalues --    2.44943   2.46539   2.49712   2.51566   2.52370
 Alpha virt. eigenvalues --    2.54812   2.57021   2.58960   2.59954   2.62119
 Alpha virt. eigenvalues --    2.63713   2.70098   2.71435   2.73500   2.75839
 Alpha virt. eigenvalues --    2.77159   2.85397   2.86175   2.88419   2.89879
 Alpha virt. eigenvalues --    2.94691   2.99826   3.00904   3.04963   3.05965
 Alpha virt. eigenvalues --    3.07219   3.10675   3.13892   3.16236   3.16388
 Alpha virt. eigenvalues --    3.17981   3.21196   3.24007   3.35985   3.68477
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.947621  -0.069845   0.731281  -0.173840   0.456015  -0.462262
     2  C   -0.069845   6.455552  -0.313308   0.368841  -0.090459   0.793598
     3  C    0.731281  -0.313308   8.643355  -1.547591   0.413363  -0.428681
     4  C   -0.173840   0.368841  -1.547591  11.463382  -2.344967  -0.025865
     5  C    0.456015  -0.090459   0.413363  -2.344967  10.482793  -1.128309
     6  C   -0.462262   0.793598  -0.428681  -0.025865  -1.128309   8.803307
     7  C   -0.007438   0.074538   0.071987  -1.155184   0.160560  -0.544422
     8  C   -0.005440  -0.007186   0.046328  -0.080188  -0.159071   0.087693
     9  C    0.066985   0.012838  -0.423771   0.145026  -0.700276   0.000208
    10  H   -0.024081  -0.405174  -0.075497   0.062755  -0.026714  -0.353396
    11  H   -0.464553  -0.023860  -0.423647   0.039474   0.053019  -0.063492
    12  H   -0.117024  -0.471910  -0.302336  -0.772407   0.347370   0.170087
    13  H   -0.607466  -0.121510   0.169174   0.365502  -1.011955  -0.220930
    14  H   -0.014789  -0.010201  -0.021104   0.337972  -0.049104   0.097489
    15  C    0.001924  -0.001535  -0.005742   0.093353  -0.046306  -0.071271
    16  H   -0.000949  -0.000157   0.008678  -0.065527   0.026822  -0.008761
    17  H    0.000237  -0.002585  -0.018589   0.103416  -0.040492   0.020148
    18  H   -0.003834  -0.001266   0.008545   0.137656   0.071554  -0.010568
    19  H   -0.004327  -0.002807   0.010048  -0.019768   0.119218  -0.010175
    20  H    0.002813   0.000236  -0.001338  -0.020968   0.087835  -0.042128
    21  H   -0.000006   0.000068  -0.000338  -0.009338   0.011236  -0.001225
    22  H   -0.001754   0.000358   0.001561   0.004822  -0.140284   0.030311
               7          8          9         10         11         12
     1  C   -0.007438  -0.005440   0.066985  -0.024081  -0.464553  -0.117024
     2  C    0.074538  -0.007186   0.012838  -0.405174  -0.023860  -0.471910
     3  C    0.071987   0.046328  -0.423771  -0.075497  -0.423647  -0.302336
     4  C   -1.155184  -0.080188   0.145026   0.062755   0.039474  -0.772407
     5  C    0.160560  -0.159071  -0.700276  -0.026714   0.053019   0.347370
     6  C   -0.544422   0.087693   0.000208  -0.353396  -0.063492   0.170087
     7  C    7.460488   0.285538  -0.120356   0.000024  -0.004132   0.013333
     8  C    0.285538   4.826466   0.199333  -0.000269   0.000856  -0.010316
     9  C   -0.120356   0.199333   5.720415  -0.002433   0.003635  -0.062203
    10  H    0.000024  -0.000269  -0.002433   2.634944  -0.614744   0.065774
    11  H   -0.004132   0.000856   0.003635  -0.614744   2.779929  -0.605334
    12  H    0.013333  -0.010316  -0.062203   0.065774  -0.605334   2.266451
    13  H   -0.032574   0.000663   0.002001  -0.620184   0.070102  -0.018966
    14  H   -0.545939  -0.049354   0.034582  -0.002662   0.000685  -0.001506
    15  C    0.160625  -0.085225   0.013548   0.000226  -0.000088   0.000148
    16  H    0.195369   0.256193  -0.035920   0.000045  -0.000027   0.000304
    17  H   -0.100885   0.235896   0.020409  -0.000106   0.000179  -0.003108
    18  H    0.048834  -0.023247   0.024546   0.000229  -0.000797   0.001427
    19  H    0.027401   0.029617   0.026790   0.000254  -0.002111   0.040671
    20  H    0.134465  -0.044988   0.013445   0.000647  -0.000033   0.000120
    21  H    0.112268   0.031667  -0.008984   0.000037  -0.000001  -0.000001
    22  H    0.147828   0.027318  -0.000498  -0.000478  -0.000002  -0.000025
              13         14         15         16         17         18
     1  C   -0.607466  -0.014789   0.001924  -0.000949   0.000237  -0.003834
     2  C   -0.121510  -0.010201  -0.001535  -0.000157  -0.002585  -0.001266
     3  C    0.169174  -0.021104  -0.005742   0.008678  -0.018589   0.008545
     4  C    0.365502   0.337972   0.093353  -0.065527   0.103416   0.137656
     5  C   -1.011955  -0.049104  -0.046306   0.026822  -0.040492   0.071554
     6  C   -0.220930   0.097489  -0.071271  -0.008761   0.020148  -0.010568
     7  C   -0.032574  -0.545939   0.160625   0.195369  -0.100885   0.048834
     8  C    0.000663  -0.049354  -0.085225   0.256193   0.235896  -0.023247
     9  C    0.002001   0.034582   0.013548  -0.035920   0.020409   0.024546
    10  H   -0.620184  -0.002662   0.000226   0.000045  -0.000106   0.000229
    11  H    0.070102   0.000685  -0.000088  -0.000027   0.000179  -0.000797
    12  H   -0.018966  -0.001506   0.000148   0.000304  -0.003108   0.001427
    13  H    2.512283   0.062815  -0.003342  -0.002221   0.003358  -0.000155
    14  H    0.062815   1.408274   0.089195  -0.120039   0.039106  -0.000409
    15  C   -0.003342   0.089195   4.156914  -0.032153  -0.048152   0.001077
    16  H   -0.002221  -0.120039  -0.032153   1.130249  -0.086572  -0.087741
    17  H    0.003358   0.039106  -0.048152  -0.086572   1.029460   0.010783
    18  H   -0.000155  -0.000409   0.001077  -0.087741   0.010783   0.851839
    19  H   -0.000637  -0.003023  -0.001118   0.042872  -0.073274   0.007722
    20  H   -0.022295  -0.006244   0.210242  -0.005996  -0.003036   0.000785
    21  H   -0.004077  -0.016069   0.206799   0.010302  -0.022073  -0.000723
    22  H    0.037420   0.015547   0.133292   0.005393   0.006998  -0.000334
              19         20         21         22
     1  C   -0.004327   0.002813  -0.000006  -0.001754
     2  C   -0.002807   0.000236   0.000068   0.000358
     3  C    0.010048  -0.001338  -0.000338   0.001561
     4  C   -0.019768  -0.020968  -0.009338   0.004822
     5  C    0.119218   0.087835   0.011236  -0.140284
     6  C   -0.010175  -0.042128  -0.001225   0.030311
     7  C    0.027401   0.134465   0.112268   0.147828
     8  C    0.029617  -0.044988   0.031667   0.027318
     9  C    0.026790   0.013445  -0.008984  -0.000498
    10  H    0.000254   0.000647   0.000037  -0.000478
    11  H   -0.002111  -0.000033  -0.000001  -0.000002
    12  H    0.040671   0.000120  -0.000001  -0.000025
    13  H   -0.000637  -0.022295  -0.004077   0.037420
    14  H   -0.003023  -0.006244  -0.016069   0.015547
    15  C   -0.001118   0.210242   0.206799   0.133292
    16  H    0.042872  -0.005996   0.010302   0.005393
    17  H   -0.073274  -0.003036  -0.022073   0.006998
    18  H    0.007722   0.000785  -0.000723  -0.000334
    19  H    0.806541   0.000315   0.000047   0.000067
    20  H    0.000315   0.841562  -0.066530  -0.048711
    21  H    0.000047  -0.066530   0.960822  -0.077861
    22  H    0.000067  -0.048711  -0.077861   0.992282
 Mulliken charges:
               1
     1  C   -0.249269
     2  C   -0.184227
     3  C   -0.542377
     4  C   -0.906554
     5  C   -0.491848
     6  C   -0.631357
     7  C   -0.382328
     8  C    0.437718
     9  C    1.070680
    10  H    0.360801
    11  H    0.254944
    12  H    0.459450
    13  H    0.442997
    14  H   -0.245221
    15  C    1.227590
    16  H   -0.230163
    17  H   -0.071118
    18  H   -0.035922
    19  H    0.005677
    20  H   -0.030200
    21  H   -0.126023
    22  H   -0.133249
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.111532
     2  C    0.070717
     3  C   -0.082927
     4  C   -0.906554
     5  C   -0.491848
     6  C   -0.188360
     7  C   -0.627548
     8  C    0.136437
     9  C    1.040434
    15  C    0.938118
 Electronic spatial extent (au):  <R**2>=           1424.0537
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.5954    Y=              0.2181    Z=             -0.1236  Tot=              0.6461
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.9211   YY=            -58.3241   ZZ=            -63.6343
   XY=              0.1303   XZ=             -1.0160   YZ=              0.5576
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.3721   YY=              1.9691   ZZ=             -3.3411
   XY=              0.1303   XZ=             -1.0160   YZ=              0.5576
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.3602  YYY=             -0.7839  ZZZ=             -0.3385  XYY=             -3.9554
  XXY=              0.4935  XXZ=              0.7027  XZZ=              6.7652  YZZ=              2.0623
  YYZ=             -0.6079  XYZ=             -0.4978
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1185.1444 YYYY=           -650.0862 ZZZZ=           -116.9601 XXXY=              5.0063
 XXXZ=            -14.1332 YYYX=              2.8016 YYYZ=              7.1888 ZZZX=              0.4291
 ZZZY=             -1.4063 XXYY=           -310.6563 XXZZ=           -237.4568 YYZZ=           -134.4033
 XXYZ=              1.3141 YYXZ=             -3.1135 ZZXY=             -0.0510
 N-N= 5.041436815771D+02 E-N=-1.904580993868D+03  KE= 3.834452583438D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:35:53 2021, MaxMem=  5637144576 cpu:               8.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28478003D-01 8.49444388D-02-4.65017555D-02
 Polarizability= 1.37957720D+02 1.63918920D+00 1.21489626D+02
                -3.54523752D+00 1.51232014D+00 7.49665008D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.8954    1.8950        1.0123    1.0119
 2     -1.8954   -1.8950       -0.7494   -0.7498       -9.3654   -9.3664
 3     -1.0123   -1.0119       33.7845   33.7852        0.7482    0.7498
 4      0.7494    0.7498       -0.0000    0.0000       -1.0125   -1.0119
 5    -24.4191  -24.4188        1.0125    1.0119        1.8938    1.8950
 6     -0.7482   -0.7498       -1.8938   -1.8950       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.6851   -5.6851        3.0358    3.0358
 2      2.2493    2.2493       -0.0000    0.0000        3.0358    3.0358
 3      2.2493    2.2493       -5.6851   -5.6851        0.0000    0.0000
 4     -5.6851   -5.6851       -2.2493   -2.2493      -28.0993  -28.0993
 5     -3.0358   -3.0358      101.3556  101.3556        2.2493    2.2493
 6    -73.2563  -73.2563        3.0358    3.0358        5.6851    5.6851
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0118    0.0000       -7.5798   -7.5801       -3.9582   -4.0477
 2      7.5204    7.5801        2.9289    2.9990       37.3671   37.4658
 3      4.0008    4.0477     -135.1231 -135.1408       -2.9750   -2.9990
 4     -3.0062   -2.9990       -0.0008    0.0000        4.0874    4.0477
 5     97.6886   97.6750       -4.0872   -4.0477       -7.5827   -7.5801
 6      3.0731    2.9990        7.7810    7.5801        0.0868    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0673    0.0000        2.1164    2.0642      -11.8298  -11.8634
 2     -1.9685   -2.0642       48.2978   48.3547       13.1551   13.0865
 3     11.8791   11.8634       10.0072    9.9999      -48.4231  -48.3547
 4    -48.3204  -48.3547        0.0736    0.0000       11.7949   11.8634
 5    -23.1955  -23.0864      -12.3514  -11.8634        1.8950    2.0642
 6     48.4781   48.3547       -2.1099   -2.0642        0.0154    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.0603    1.0045       30.2925   30.2713       16.6851   16.7673
 2    -69.3536  -69.3799       31.4725   31.3669       16.6510   16.7673
 3    -69.3957  -69.3799       30.3561   30.2713       29.1090   29.2245
 4     -1.0477   -1.0956       70.3458   70.3843       -0.2233   -0.2568
 5     12.3106   12.4572       19.6072   19.4890      -70.5471  -70.3843
 6    -19.4224  -19.2322      -12.9565  -12.4572        0.9161    1.0956
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1738   -0.0008   -0.0005    0.0003    3.5765    6.0893
 Low frequencies ---  106.3497  149.1017  211.4380
 Diagonal vibrational polarizability:
        1.3206233       0.8750057       6.3154137
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.3496               149.1015               211.4379
 Red. masses --      2.7186                 2.4375                 2.3431
 Frc consts  --      0.0181                 0.0319                 0.0617
 IR Inten    --      0.0226                 0.9817                 0.9824
 RamAct Fr= 1--      1.6839                 3.0873                 1.4241
  Dep-P Fr= 1--      0.7316                 0.7455                 0.5864
  Dep-U Fr= 1--      0.8450                 0.8542                 0.7393
 Alpha2 Fr= 1--      0.0005                 0.0002                 0.0044
 Beta2  Fr= 1--      0.2371                 0.4395                 0.1755
 AlphaG Fr= 1--     -0.0004                 0.0010                -0.0025
 Gamma2 Fr= 1--      0.0683                 0.3733                 1.1863
 Delta2 Fr= 1--      0.0207                 0.3416                 0.2034
 Raman1 Fr= 1--       6.735                 12.349                  5.696
 ROA1   Fr= 1--       7.220                 46.772                120.392
 CID1   Fr= 1--       1.072                  3.787                 21.135
 Raman2 Fr= 1--       2.846                  5.274                  2.106
 ROA2   Fr= 1--       1.473                  6.227                 26.843
 CID2   Fr= 1--       0.518                  1.181                 12.748
 Raman3 Fr= 1--       5.691                 10.549                  4.211
 ROA3   Fr= 1--       7.220                 46.772                120.392
 CID3   Fr= 1--       1.269                  4.434                 28.588
 RC180  Fr= 1--       0.690                  0.708                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.04  -0.01   0.05     0.07  -0.04   0.12
     2   6     0.01  -0.02   0.07     0.04  -0.03   0.15     0.02  -0.04  -0.02
     3   6     0.02  -0.02   0.14     0.02  -0.01   0.04    -0.02  -0.01  -0.12
     4   6     0.01  -0.01   0.05     0.00   0.02  -0.12    -0.00   0.03  -0.07
     5   6     0.00  -0.00  -0.05     0.01   0.02  -0.15     0.01   0.04  -0.08
     6   6    -0.01   0.01  -0.16     0.03   0.01  -0.11     0.06   0.01   0.05
     7   6     0.00  -0.03  -0.02     0.02   0.03  -0.00    -0.00   0.01  -0.06
     8   6     0.04   0.02  -0.18    -0.05  -0.00   0.14     0.04   0.00  -0.06
     9   6    -0.01   0.00   0.01     0.01   0.01  -0.11     0.00   0.05   0.17
    10   1    -0.01   0.00  -0.19     0.06  -0.03   0.13     0.10  -0.07   0.26
    11   1     0.02  -0.02   0.14     0.06  -0.05   0.31     0.02  -0.06  -0.02
    12   1     0.03  -0.03   0.25     0.01  -0.02   0.11    -0.06  -0.02  -0.16
    13   1    -0.02   0.01  -0.27     0.03   0.02  -0.14     0.10   0.02   0.12
    14   1     0.06  -0.21  -0.00     0.17   0.10   0.02     0.04  -0.03  -0.05
    15   6    -0.07   0.05   0.21    -0.10  -0.03   0.04    -0.16  -0.04   0.01
    16   1    -0.05   0.01  -0.35     0.07  -0.00   0.37    -0.03   0.04  -0.17
    17   1     0.24   0.09  -0.21    -0.31  -0.05   0.19     0.21  -0.04  -0.09
    18   1    -0.13   0.07   0.03     0.15  -0.14  -0.18    -0.00   0.35   0.31
    19   1     0.06  -0.05   0.07    -0.06   0.11  -0.23    -0.00  -0.17   0.41
    20   1    -0.14   0.25   0.20    -0.35  -0.15  -0.01    -0.35  -0.07  -0.02
    21   1    -0.06  -0.00   0.26    -0.07   0.01   0.30    -0.13  -0.10   0.21
    22   1    -0.07  -0.01   0.36     0.01   0.01  -0.13    -0.14  -0.01  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    238.2188               264.2644               397.4969
 Red. masses --      1.1483                 2.4856                 2.6060
 Frc consts  --      0.0384                 0.1023                 0.2426
 IR Inten    --      0.0084                 1.6566                 0.3911
 RamAct Fr= 1--      0.0938                 0.5251                 1.0192
  Dep-P Fr= 1--      0.5056                 0.7221                 0.1073
  Dep-U Fr= 1--      0.6716                 0.8386                 0.1938
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0175
 Beta2  Fr= 1--      0.0105                 0.0734                 0.0329
 AlphaG Fr= 1--      0.0016                -0.0020                 0.0113
 Gamma2 Fr= 1--      0.0408                -0.4840                -0.4598
 Delta2 Fr= 1--      0.0456                -0.0695                -0.1131
 Raman1 Fr= 1--       0.375                  2.100                  4.077
 ROA1   Fr= 1--       5.373                -48.690                -47.759
 CID1   Fr= 1--      14.315                -23.182                -11.715
 Raman2 Fr= 1--       0.126                  0.881                  0.395
 ROA2   Fr= 1--       0.614                -11.060                -10.130
 CID2   Fr= 1--       4.871                -12.558                -25.642
 Raman3 Fr= 1--       0.252                  1.761                  0.790
 ROA3   Fr= 1--       5.373                -48.690                -47.759
 CID3   Fr= 1--      21.315                -27.642                -60.447
 RC180  Fr= 1--       0.343                  0.677                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.06   0.04   0.08    -0.01   0.00   0.02
     2   6    -0.01   0.03  -0.01    -0.02   0.05   0.07    -0.02  -0.01   0.13
     3   6     0.01   0.01   0.00     0.02   0.01  -0.09    -0.04   0.01  -0.14
     4   6     0.00  -0.02   0.01    -0.00  -0.05  -0.12    -0.02   0.01  -0.01
     5   6    -0.01  -0.03   0.00    -0.02  -0.06  -0.13     0.01   0.01   0.09
     6   6    -0.03  -0.01   0.01    -0.08  -0.02  -0.08    -0.03   0.03  -0.16
     7   6    -0.00  -0.02  -0.01     0.02  -0.04  -0.03     0.03  -0.01   0.17
     8   6    -0.00  -0.01  -0.03    -0.03  -0.05   0.05     0.04   0.09  -0.03
     9   6    -0.00  -0.02   0.02    -0.02  -0.03   0.10    -0.04   0.03  -0.00
    10   1    -0.05   0.03   0.01    -0.07   0.05   0.21     0.00  -0.01   0.04
    11   1    -0.01   0.05  -0.02     0.00   0.09   0.19    -0.00  -0.03   0.28
    12   1     0.03   0.02  -0.00     0.08   0.04  -0.09    -0.06   0.02  -0.31
    13   1    -0.05  -0.02   0.02    -0.14  -0.04  -0.08    -0.05   0.04  -0.35
    14   1    -0.00  -0.03  -0.01     0.09  -0.03  -0.02    -0.01  -0.02   0.17
    15   6     0.07   0.04   0.01     0.15   0.10   0.05     0.06  -0.14  -0.01
    16   1    -0.02  -0.02  -0.07    -0.02  -0.01   0.11    -0.08   0.06  -0.28
    17   1     0.04  -0.01  -0.04    -0.05  -0.14   0.05     0.27   0.30  -0.06
    18   1    -0.02   0.02   0.03     0.05   0.18   0.21    -0.07   0.05   0.01
    19   1     0.00  -0.04   0.04    -0.09  -0.19   0.27    -0.07   0.01   0.01
    20   1    -0.34  -0.27  -0.07     0.40   0.35   0.10     0.13  -0.39   0.01
    21   1     0.09   0.41   0.45     0.12   0.11  -0.21     0.06  -0.15  -0.07
    22   1     0.53   0.03  -0.33     0.10  -0.00   0.34     0.01  -0.04  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    423.4984               458.9573               519.9511
 Red. masses --      2.8403                 2.9757                 3.9080
 Frc consts  --      0.3001                 0.3693                 0.6225
 IR Inten    --      1.2983                 4.9778                 1.0822
 RamAct Fr= 1--      0.2752                 1.4986                 7.1940
  Dep-P Fr= 1--      0.7475                 0.1444                 0.1968
  Dep-U Fr= 1--      0.8555                 0.2523                 0.3288
 Alpha2 Fr= 1--      0.0000                 0.0235                 0.0985
 Beta2  Fr= 1--      0.0392                 0.0630                 0.3943
 AlphaG Fr= 1--      0.0002                 0.0284                -0.0585
 Gamma2 Fr= 1--      0.5896                 0.0462                -1.8267
 Delta2 Fr= 1--      0.0746                 0.0168                -0.4055
 Raman1 Fr= 1--       1.101                  5.994                 28.776
 ROA1   Fr= 1--      58.989                  4.975               -188.336
 CID1   Fr= 1--      53.594                  0.830                 -6.545
 Raman2 Fr= 1--       0.471                  0.756                  4.731
 ROA2   Fr= 1--      13.554                  0.975                -40.597
 CID2   Fr= 1--      28.788                  1.289                 -8.581
 Raman3 Fr= 1--       0.942                  1.512                  9.462
 ROA3   Fr= 1--      58.989                  4.975               -188.336
 CID3   Fr= 1--      62.647                  3.289                -19.904
 RC180  Fr= 1--       0.711                 -0.495                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.08   0.05     0.02   0.03   0.14     0.09   0.02  -0.15
     2   6    -0.00  -0.09   0.03     0.03   0.06  -0.04     0.22   0.04   0.14
     3   6    -0.09   0.01  -0.09     0.06   0.01  -0.10     0.11   0.09  -0.09
     4   6    -0.02   0.13   0.10     0.05  -0.12   0.23     0.03  -0.02  -0.09
     5   6    -0.07   0.10   0.08     0.04  -0.09   0.04    -0.03  -0.07   0.19
     6   6     0.02   0.06  -0.10    -0.02  -0.05  -0.12     0.07  -0.12   0.03
     7   6    -0.11  -0.04  -0.03     0.03   0.07  -0.09    -0.16  -0.02   0.02
     8   6     0.04  -0.15   0.00    -0.02   0.05   0.02    -0.14  -0.04  -0.02
     9   6     0.15   0.01  -0.00    -0.05  -0.07   0.01    -0.07   0.02   0.00
    10   1     0.08  -0.12   0.07    -0.02   0.06   0.22    -0.04   0.13  -0.34
    11   1    -0.01  -0.14   0.03     0.02   0.10  -0.18     0.23   0.01   0.28
    12   1    -0.25  -0.03  -0.26     0.12   0.07  -0.41     0.13   0.10  -0.16
    13   1     0.13   0.12  -0.29    -0.13  -0.06  -0.38     0.08  -0.10  -0.08
    14   1    -0.20  -0.07  -0.05     0.02   0.11  -0.09    -0.33  -0.04  -0.02
    15   6     0.01   0.08   0.01    -0.09   0.08  -0.02    -0.08   0.07  -0.03
    16   1     0.12  -0.25   0.07    -0.02   0.13   0.09    -0.08  -0.10   0.05
    17   1    -0.03  -0.24   0.01    -0.08  -0.02   0.02    -0.21  -0.08  -0.01
    18   1     0.19  -0.12  -0.06    -0.20  -0.31  -0.11    -0.05   0.25   0.12
    19   1     0.34   0.11  -0.09    -0.04   0.09  -0.17    -0.14  -0.16   0.20
    20   1     0.05   0.16   0.02    -0.22   0.18  -0.04    -0.06   0.07  -0.03
    21   1    -0.01   0.29  -0.02    -0.06  -0.06   0.11    -0.09   0.17  -0.05
    22   1     0.20  -0.02   0.12    -0.17   0.08   0.03    -0.00   0.04  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    534.3372               593.4048               621.4727
 Red. masses --      4.2641                 3.1132                 3.2123
 Frc consts  --      0.7173                 0.6459                 0.7310
 IR Inten    --      0.5710                 1.4833                 0.8010
 RamAct Fr= 1--      4.7575                 1.0925                 2.2158
  Dep-P Fr= 1--      0.7390                 0.5394                 0.2963
  Dep-U Fr= 1--      0.8499                 0.7008                 0.4571
 Alpha2 Fr= 1--      0.0009                 0.0044                 0.0230
 Beta2  Fr= 1--      0.6739                 0.1276                 0.1688
 AlphaG Fr= 1--      0.0027                 0.0189                -0.0040
 Gamma2 Fr= 1--      0.7011                 0.3822                 0.3327
 Delta2 Fr= 1--      0.2538                 0.1695                -0.2471
 Raman1 Fr= 1--      19.030                  4.370                  8.863
 ROA1   Fr= 1--      75.429                 42.113                 24.031
 CID1   Fr= 1--       3.964                  9.637                  2.711
 Raman2 Fr= 1--       8.087                  1.531                  2.026
 ROA2   Fr= 1--      14.796                  7.816                  9.961
 CID2   Fr= 1--       1.830                  5.104                  4.917
 Raman3 Fr= 1--      16.174                  3.062                  4.052
 ROA3   Fr= 1--      75.429                 42.113                 24.031
 CID3   Fr= 1--       4.664                 13.751                  5.931
 RC180  Fr= 1--       0.700                  0.402                 -0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.07     0.03  -0.06   0.12    -0.12  -0.10   0.06
     2   6    -0.03  -0.06   0.07     0.14   0.01  -0.16     0.04  -0.05  -0.05
     3   6     0.07  -0.12  -0.05     0.08   0.06   0.09     0.13  -0.11   0.02
     4   6     0.09  -0.03  -0.09     0.02   0.03  -0.00     0.14   0.06   0.04
     5   6    -0.04  -0.06   0.05    -0.12  -0.02  -0.12     0.00   0.00   0.04
     6   6    -0.15  -0.07   0.05    -0.02  -0.11  -0.10    -0.11   0.03  -0.02
     7   6    -0.01   0.15   0.04    -0.16   0.00   0.17     0.00  -0.06  -0.04
     8   6     0.20   0.08   0.07    -0.02   0.03   0.02    -0.11   0.06  -0.05
     9   6     0.18   0.00   0.00     0.02   0.02   0.00     0.02   0.25  -0.04
    10   1    -0.23  -0.08  -0.14    -0.05   0.01   0.39    -0.14  -0.09   0.01
    11   1     0.01   0.10   0.19     0.13   0.03  -0.20     0.06   0.16  -0.17
    12   1     0.06  -0.13  -0.02     0.05   0.02   0.27     0.06  -0.13  -0.09
    13   1    -0.17  -0.08   0.08     0.07  -0.09   0.04    -0.07   0.06  -0.16
    14   1    -0.06   0.26   0.02    -0.06   0.03   0.18    -0.01  -0.14  -0.04
    15   6    -0.11   0.17  -0.06    -0.02   0.02  -0.01     0.04  -0.08   0.03
    16   1     0.14  -0.01  -0.12    -0.11  -0.14  -0.29     0.11  -0.00   0.31
    17   1     0.37   0.14   0.04     0.25   0.23  -0.02    -0.49  -0.04   0.01
    18   1     0.29  -0.03  -0.00     0.03  -0.08  -0.04    -0.10   0.45   0.05
    19   1     0.05   0.03  -0.04    -0.02   0.09  -0.08     0.08   0.08   0.16
    20   1    -0.16   0.15  -0.07     0.23  -0.17   0.04     0.02  -0.09   0.02
    21   1    -0.10   0.07  -0.01    -0.06   0.21  -0.24     0.05  -0.10   0.04
    22   1    -0.20   0.21  -0.09     0.07   0.03  -0.11     0.03  -0.08   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    732.6043               751.3681               767.8037
 Red. masses --      3.2203                 2.3853                 1.5851
 Frc consts  --      1.0183                 0.7934                 0.5506
 IR Inten    --      4.0162                18.1070                37.6064
 RamAct Fr= 1--      2.8624                16.8563                 7.2348
  Dep-P Fr= 1--      0.1014                 0.0630                 0.1924
  Dep-U Fr= 1--      0.1841                 0.1184                 0.3228
 Alpha2 Fr= 1--      0.0499                 0.3228                 0.1002
 Beta2  Fr= 1--      0.0878                 0.3328                 0.3892
 AlphaG Fr= 1--      0.0113                -0.0122                 0.0067
 Gamma2 Fr= 1--     -0.6459                -0.5553                -0.1028
 Delta2 Fr= 1--     -0.2124                -0.1102                -0.0026
 Raman1 Fr= 1--      11.450                 67.425                 28.939
 ROA1   Fr= 1--     -68.798                -56.834                 -9.947
 CID1   Fr= 1--      -6.009                 -0.843                 -0.344
 Raman2 Fr= 1--       1.054                  3.993                  4.670
 ROA2   Fr= 1--     -13.802                -12.445                 -2.446
 CID2   Fr= 1--     -13.094                 -3.117                 -0.524
 Raman3 Fr= 1--       2.108                  7.986                  9.341
 ROA3   Fr= 1--     -68.798                -56.834                 -9.947
 CID3   Fr= 1--     -32.635                 -7.117                 -1.065
 RC180  Fr= 1--      -0.632                 -0.763                 -0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05  -0.16    -0.00   0.05  -0.05    -0.00  -0.01  -0.03
     2   6     0.10  -0.02   0.10    -0.05  -0.01  -0.04    -0.01   0.02  -0.09
     3   6    -0.00   0.07  -0.14     0.10  -0.15  -0.07    -0.06   0.07  -0.01
     4   6     0.02   0.05   0.20     0.08  -0.05   0.02    -0.03   0.01  -0.00
     5   6    -0.07   0.02  -0.19     0.07   0.05   0.01    -0.01  -0.04   0.11
     6   6    -0.03  -0.06   0.10     0.01   0.19  -0.03    -0.01  -0.09  -0.07
     7   6     0.00  -0.03  -0.05    -0.07  -0.03   0.05     0.05   0.02  -0.03
     8   6    -0.02   0.05   0.01    -0.06  -0.05  -0.00     0.03   0.02  -0.03
     9   6    -0.01   0.05   0.07    -0.05  -0.04   0.02     0.03   0.03  -0.02
    10   1    -0.11  -0.00   0.12     0.20  -0.11   0.43     0.00  -0.00   0.54
    11   1     0.14  -0.01   0.34     0.03   0.08   0.46     0.05  -0.10   0.52
    12   1    -0.08   0.03  -0.11     0.23  -0.15   0.25    -0.04   0.02   0.40
    13   1     0.07  -0.07   0.49     0.07   0.18   0.33    -0.01  -0.12   0.20
    14   1     0.16  -0.02  -0.02    -0.10  -0.04   0.04    -0.08  -0.01  -0.05
    15   6     0.04  -0.07   0.03    -0.05   0.04  -0.02     0.02  -0.01   0.00
    16   1    -0.09   0.11  -0.06    -0.11  -0.09  -0.11     0.12   0.05   0.17
    17   1     0.09   0.02  -0.01     0.04  -0.01  -0.02    -0.16  -0.06   0.01
    18   1    -0.11  -0.31  -0.11    -0.09  -0.15  -0.03    -0.02   0.11   0.02
    19   1     0.09   0.32  -0.21    -0.06   0.03  -0.06     0.08  -0.03   0.06
    20   1     0.06  -0.03   0.03     0.05  -0.01   0.00    -0.10   0.04  -0.02
    21   1     0.04  -0.03   0.01    -0.07   0.16  -0.11     0.05  -0.14   0.11
    22   1     0.09  -0.10   0.07     0.03   0.03  -0.04    -0.06   0.01   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    814.9262               857.7579               881.8694
 Red. masses --      2.1386                 2.8230                 1.3484
 Frc consts  --      0.8368                 1.2238                 0.6178
 IR Inten    --      0.4324                 0.1904                 0.0980
 RamAct Fr= 1--      1.7685                 8.2935                 0.7060
  Dep-P Fr= 1--      0.7228                 0.0900                 0.6299
  Dep-U Fr= 1--      0.8391                 0.1651                 0.7730
 Alpha2 Fr= 1--      0.0008                 0.1488                 0.0015
 Beta2  Fr= 1--      0.2473                 0.2282                 0.0910
 AlphaG Fr= 1--     -0.0006                 0.0657                 0.0060
 Gamma2 Fr= 1--      0.8720                 0.6108                -1.0341
 Delta2 Fr= 1--      1.1260                 0.3787                -0.6471
 Raman1 Fr= 1--       7.074                 33.174                  2.824
 ROA1   Fr= 1--     119.743                 70.756               -119.979
 CID1   Fr= 1--      16.927                  2.133                -42.486
 Raman2 Fr= 1--       2.968                  2.738                  1.091
 ROA2   Fr= 1--      11.919                 11.630                -19.641
 CID2   Fr= 1--       4.016                  4.247                -17.996
 Raman3 Fr= 1--       5.936                  5.477                  2.183
 ROA3   Fr= 1--     119.743                 70.756               -119.979
 CID3   Fr= 1--      20.172                 12.919                -54.965
 RC180  Fr= 1--       0.678                 -0.670                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.05     0.09   0.11   0.01     0.00  -0.01   0.06
     2   6    -0.11   0.02   0.06    -0.15   0.03   0.00    -0.01   0.00  -0.05
     3   6    -0.04  -0.03  -0.01    -0.02  -0.07  -0.02    -0.01   0.01  -0.10
     4   6     0.01  -0.06   0.10     0.02  -0.03  -0.02     0.00  -0.00   0.03
     5   6     0.02  -0.05  -0.11     0.04  -0.09   0.00     0.00   0.00  -0.04
     6   6     0.04  -0.07  -0.00     0.06  -0.10   0.00     0.01  -0.01   0.09
     7   6    -0.02   0.03   0.11    -0.11  -0.09  -0.07     0.01   0.02   0.03
     8   6    -0.00  -0.03  -0.07     0.02   0.07   0.08    -0.03  -0.01  -0.03
     9   6     0.08   0.06  -0.06     0.03   0.21   0.04     0.02  -0.01   0.01
    10   1     0.09   0.05   0.08     0.11   0.09  -0.08    -0.05   0.03  -0.39
    11   1    -0.14  -0.06  -0.06    -0.15  -0.09   0.10     0.04  -0.02   0.32
    12   1     0.02   0.02  -0.22     0.11  -0.03   0.13     0.06  -0.05   0.58
    13   1    -0.06  -0.14   0.24    -0.12  -0.15  -0.15    -0.06   0.03  -0.53
    14   1     0.11  -0.06   0.14    -0.16   0.01  -0.08     0.10  -0.03   0.04
    15   6    -0.04   0.07   0.01    -0.02  -0.06  -0.02    -0.00   0.02   0.01
    16   1     0.21  -0.25   0.16    -0.04  -0.05  -0.14     0.01  -0.03   0.02
    17   1    -0.31   0.05  -0.00     0.28   0.02   0.03    -0.08  -0.00  -0.02
    18   1    -0.14   0.32   0.06     0.22  -0.08  -0.09    -0.07  -0.03  -0.00
    19   1     0.28  -0.15   0.20    -0.11   0.42  -0.21     0.12   0.01   0.00
    20   1     0.13  -0.21   0.04    -0.01   0.19  -0.01     0.05  -0.11   0.02
    21   1    -0.07   0.08  -0.19    -0.04   0.19   0.01    -0.01  -0.01  -0.06
    22   1    -0.10   0.18  -0.22     0.23  -0.25   0.25    -0.06   0.08  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    918.3026               935.9965               961.9110
 Red. masses --      1.9168                 1.3693                 1.2360
 Frc consts  --      0.9524                 0.7068                 0.6738
 IR Inten    --      0.1240                 0.5917                 0.0175
 RamAct Fr= 1--      1.4850                 0.2722                 0.0278
  Dep-P Fr= 1--      0.7192                 0.5198                 0.4377
  Dep-U Fr= 1--      0.8367                 0.6840                 0.6089
 Alpha2 Fr= 1--      0.0008                 0.0012                 0.0002
 Beta2  Fr= 1--      0.2071                 0.0310                 0.0028
 AlphaG Fr= 1--     -0.0028                 0.0036                -0.0049
 Gamma2 Fr= 1--      0.5032                 0.0681                -0.0451
 Delta2 Fr= 1--      0.0040                 0.0265                 0.0202
 Raman1 Fr= 1--       5.940                  1.089                  0.111
 ROA1   Fr= 1--      48.437                  7.383                 -3.685
 CID1   Fr= 1--       8.154                  6.782                -33.113
 Raman2 Fr= 1--       2.485                  0.372                  0.034
 ROA2   Fr= 1--      12.046                  1.421                 -1.245
 CID2   Fr= 1--       4.847                  3.818                -36.744
 Raman3 Fr= 1--       4.970                  0.745                  0.068
 ROA3   Fr= 1--      48.437                  7.383                 -3.685
 CID3   Fr= 1--       9.746                  9.915                -54.386
 RC180  Fr= 1--       0.673                  0.368                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.01  -0.00   0.06    -0.01   0.01  -0.09
     2   6     0.02   0.00  -0.01     0.01  -0.00   0.07     0.01  -0.01   0.09
     3   6    -0.00   0.01  -0.01    -0.01   0.00  -0.09    -0.01   0.00  -0.05
     4   6    -0.01  -0.04   0.03     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.04   0.04  -0.03    -0.00  -0.00   0.03     0.00  -0.00   0.01
     6   6    -0.00   0.03   0.03    -0.01   0.00  -0.11     0.01  -0.00   0.05
     7   6    -0.07  -0.04  -0.02    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.20   0.11   0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
     9   6    -0.05  -0.06  -0.05     0.00  -0.00   0.02     0.00  -0.00  -0.01
    10   1     0.02  -0.02  -0.00    -0.03   0.03  -0.34     0.07  -0.04   0.59
    11   1     0.03  -0.01   0.08    -0.05   0.04  -0.42    -0.07   0.04  -0.57
    12   1     0.02   0.01   0.02     0.07  -0.05   0.52     0.04  -0.03   0.37
    13   1     0.05   0.07  -0.12     0.06  -0.05   0.56    -0.04   0.03  -0.39
    14   1    -0.11  -0.11  -0.02    -0.11  -0.08  -0.02    -0.01   0.03  -0.00
    15   6    -0.05  -0.05  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.36   0.13   0.35     0.06   0.07   0.10    -0.01  -0.02  -0.02
    17   1    -0.19   0.05   0.09    -0.09  -0.07  -0.01     0.01   0.02   0.00
    18   1    -0.28   0.15   0.04    -0.06  -0.08  -0.01     0.01   0.02   0.00
    19   1    -0.25  -0.22   0.10     0.02   0.06  -0.04    -0.00  -0.02   0.01
    20   1     0.15   0.04   0.04     0.00  -0.02   0.00    -0.02   0.02  -0.01
    21   1    -0.10   0.34  -0.14    -0.00  -0.01   0.00     0.01  -0.01   0.02
    22   1     0.28  -0.22   0.15    -0.00   0.01  -0.01    -0.00  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    969.7726               982.9209              1037.2100
 Red. masses --      1.3951                 2.1838                 2.2217
 Frc consts  --      0.7730                 1.2431                 1.4082
 IR Inten    --      0.6958                 0.7782                 0.6274
 RamAct Fr= 1--      0.1395                 3.4763                20.9160
  Dep-P Fr= 1--      0.5994                 0.3029                 0.1724
  Dep-U Fr= 1--      0.7496                 0.4650                 0.2941
 Alpha2 Fr= 1--      0.0004                 0.0353                 0.3053
 Beta2  Fr= 1--      0.0174                 0.2694                 1.0251
 AlphaG Fr= 1--     -0.0049                 0.0225                -0.0579
 Gamma2 Fr= 1--     -0.0397                -1.0155                 1.2561
 Delta2 Fr= 1--      0.3223                 0.2361                -0.4740
 Raman1 Fr= 1--       0.558                 13.905                 83.664
 ROA1   Fr= 1--       6.507                -89.930                105.421
 CID1   Fr= 1--      11.664                 -6.467                  1.260
 Raman2 Fr= 1--       0.209                  3.233                 12.302
 ROA2   Fr= 1--      -3.530                -26.260                 33.939
 CID2   Fr= 1--     -16.883                 -8.123                  2.759
 Raman3 Fr= 1--       0.418                  6.466                 24.603
 ROA3   Fr= 1--       6.507                -89.930                105.421
 CID3   Fr= 1--      15.560                -13.908                  4.285
 RC180  Fr= 1--       0.499                 -0.070                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02     0.02   0.01   0.00     0.07   0.10  -0.00
     2   6     0.02  -0.00   0.00    -0.04  -0.00   0.00     0.02  -0.00  -0.01
     3   6    -0.00   0.01  -0.03     0.01  -0.02  -0.01     0.03  -0.12   0.00
     4   6     0.00  -0.00   0.06     0.02  -0.00   0.02    -0.02  -0.01  -0.03
     5   6    -0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.12   0.04  -0.04
     6   6    -0.01   0.02  -0.01     0.01   0.01  -0.00    -0.01  -0.01   0.02
     7   6     0.01   0.02   0.03    -0.06   0.02  -0.01    -0.10   0.13   0.02
     8   6     0.02  -0.08   0.06    -0.14   0.15  -0.00     0.06  -0.00  -0.06
     9   6    -0.05   0.03  -0.09     0.17  -0.14  -0.02    -0.01  -0.02   0.05
    10   1    -0.02   0.00  -0.11     0.06  -0.02  -0.05     0.03   0.14   0.01
    11   1     0.02   0.00   0.01    -0.04  -0.02   0.02     0.04   0.00   0.02
    12   1     0.00  -0.01   0.14     0.04  -0.01   0.01    -0.01  -0.13  -0.10
    13   1     0.02   0.01   0.10     0.04   0.01   0.03    -0.06  -0.01  -0.09
    14   1     0.02   0.44   0.01    -0.13   0.22  -0.04    -0.45   0.17  -0.05
    15   6     0.03  -0.03  -0.06     0.02  -0.08  -0.01     0.14  -0.04   0.04
    16   1     0.02  -0.39  -0.19    -0.26   0.35  -0.05     0.21  -0.13   0.14
    17   1     0.13   0.26   0.06    -0.14   0.34   0.01    -0.13  -0.20  -0.04
    18   1    -0.18   0.28   0.02     0.22   0.09   0.09    -0.14  -0.15  -0.02
    19   1    -0.04  -0.17   0.13     0.39  -0.29   0.17    -0.04   0.08  -0.07
    20   1    -0.20   0.32  -0.09    -0.05   0.15  -0.02    -0.15  -0.06  -0.01
    21   1     0.06  -0.07   0.21     0.03   0.02   0.12     0.20  -0.46   0.29
    22   1     0.04  -0.14   0.23     0.14  -0.21   0.22    -0.18   0.05   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1053.0252              1102.3884              1106.3668
 Red. masses --      2.0945                 1.6201                 2.0587
 Frc consts  --      1.3684                 1.1600                 1.4847
 IR Inten    --      3.8036                 2.6229                 2.2774
 RamAct Fr= 1--     27.4950                 0.6895                 1.5365
  Dep-P Fr= 1--      0.0509                 0.6317                 0.5569
  Dep-U Fr= 1--      0.0969                 0.7743                 0.7154
 Alpha2 Fr= 1--      0.5419                 0.0015                 0.0056
 Beta2  Fr= 1--      0.4441                 0.0890                 0.1832
 AlphaG Fr= 1--      0.0409                -0.0100                 0.0271
 Gamma2 Fr= 1--     -0.9386                 0.3984                 0.3072
 Delta2 Fr= 1--     -0.8814                 0.4073                 0.4094
 Raman1 Fr= 1--     109.980                  2.758                  6.146
 ROA1   Fr= 1--    -118.314                 51.285                 42.587
 CID1   Fr= 1--      -1.076                 18.595                  6.929
 Raman2 Fr= 1--       5.329                  1.068                  2.199
 ROA2   Fr= 1--     -15.476                  6.304                  4.097
 CID2   Fr= 1--      -2.904                  5.904                  1.863
 Raman3 Fr= 1--      10.659                  2.135                  4.397
 ROA3   Fr= 1--    -118.314                 51.285                 42.587
 CID3   Fr= 1--     -11.100                 24.016                  9.685
 RC180  Fr= 1--      -0.806                  0.549                  0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.15   0.00    -0.03  -0.01   0.00     0.02  -0.05  -0.01
     2   6     0.17  -0.07  -0.02     0.02  -0.00  -0.00     0.01  -0.05  -0.01
     3   6    -0.07  -0.09  -0.00    -0.00   0.01   0.03    -0.02   0.13   0.01
     4   6    -0.02   0.00   0.01    -0.03   0.00  -0.09     0.02  -0.07  -0.00
     5   6     0.01  -0.03   0.01     0.06  -0.02  -0.01     0.02  -0.07  -0.05
     6   6    -0.12   0.06   0.01     0.00   0.00   0.01    -0.06   0.11   0.03
     7   6     0.03  -0.05  -0.01     0.04  -0.01   0.10    -0.05  -0.12   0.05
     8   6    -0.01   0.01   0.02     0.00  -0.01  -0.08    -0.00   0.08   0.01
     9   6     0.02   0.00  -0.02    -0.01   0.01   0.11     0.05   0.02   0.02
    10   1    -0.06   0.27   0.03    -0.06   0.02   0.03     0.29  -0.27  -0.06
    11   1     0.15  -0.28  -0.04     0.02   0.03  -0.02    -0.05  -0.39  -0.01
    12   1    -0.50  -0.26   0.06    -0.04   0.01  -0.09     0.17   0.21  -0.03
    13   1    -0.55  -0.10   0.07    -0.06  -0.02  -0.06    -0.19   0.08  -0.01
    14   1     0.14  -0.07   0.01     0.00   0.16   0.08    -0.26  -0.21   0.01
    15   6    -0.03   0.02  -0.01    -0.04  -0.03  -0.07     0.06   0.07  -0.05
    16   1    -0.06   0.07  -0.02     0.14  -0.08   0.12     0.10  -0.11   0.04
    17   1     0.04   0.08   0.02    -0.27   0.15  -0.02    -0.06   0.09   0.02
    18   1     0.07   0.07   0.01    -0.39  -0.29  -0.05    -0.01  -0.03  -0.00
    19   1     0.07  -0.03   0.03     0.46   0.25  -0.10    -0.15   0.04  -0.03
    20   1     0.02   0.02  -0.01    -0.08   0.30  -0.08    -0.27   0.11  -0.11
    21   1    -0.04   0.10  -0.06    -0.05   0.20   0.06     0.11  -0.27   0.17
    22   1     0.01   0.01  -0.03     0.13  -0.18   0.19    -0.25   0.16  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1130.4591              1182.3228              1184.7116
 Red. masses --      2.1900                 1.2158                 1.5869
 Frc consts  --      1.6489                 1.0013                 1.3123
 IR Inten    --      0.2800                 0.3149                 0.2666
 RamAct Fr= 1--      1.4704                 5.7669                 3.6434
  Dep-P Fr= 1--      0.6358                 0.3450                 0.5941
  Dep-U Fr= 1--      0.7774                 0.5130                 0.7454
 Alpha2 Fr= 1--      0.0030                 0.0514                 0.0106
 Beta2  Fr= 1--      0.1905                 0.4931                 0.4526
 AlphaG Fr= 1--      0.0280                -0.0343                 0.0078
 Gamma2 Fr= 1--      0.4124                 0.7476                -0.5259
 Delta2 Fr= 1--      0.0741                 0.3791                -0.2831
 Raman1 Fr= 1--       5.882                 23.068                 14.574
 ROA1   Fr= 1--      41.960                 83.903                -59.550
 CID1   Fr= 1--       7.134                  3.637                 -4.086
 Raman2 Fr= 1--       2.286                  5.917                  5.431
 ROA2   Fr= 1--       9.304                 14.911                -10.358
 CID2   Fr= 1--       4.070                  2.520                 -1.907
 Raman3 Fr= 1--       4.572                 11.835                 10.863
 ROA3   Fr= 1--      41.960                 83.903                -59.550
 CID3   Fr= 1--       9.177                  7.089                 -5.482
 RC180  Fr= 1--       0.555                  0.026                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.00     0.01  -0.05  -0.00     0.08  -0.01  -0.01
     2   6     0.04  -0.04  -0.01     0.02   0.07   0.00    -0.05   0.00   0.01
     3   6    -0.01   0.09   0.01    -0.06   0.00   0.01     0.05   0.01  -0.00
     4   6    -0.02  -0.10  -0.02     0.00  -0.02   0.01     0.06   0.10  -0.00
     5   6     0.06  -0.04   0.03     0.06  -0.01  -0.02    -0.08   0.03   0.01
     6   6    -0.07   0.08   0.00     0.01  -0.00   0.00    -0.07  -0.05   0.00
     7   6    -0.05   0.19  -0.08    -0.03   0.01   0.01     0.04   0.01   0.02
     8   6    -0.03  -0.01  -0.03    -0.02   0.03  -0.01     0.03  -0.06  -0.00
     9   6     0.03   0.03   0.02     0.02  -0.01   0.01    -0.06  -0.01  -0.01
    10   1     0.17  -0.18  -0.03     0.29  -0.28  -0.06     0.53  -0.38  -0.08
    11   1    -0.01  -0.28  -0.03     0.12   0.67   0.04    -0.05   0.01   0.00
    12   1     0.18   0.16   0.00    -0.47  -0.16   0.04     0.17   0.06  -0.01
    13   1    -0.29  -0.01   0.07    -0.16  -0.07   0.01    -0.51  -0.21   0.03
    14   1     0.11   0.38  -0.06    -0.10  -0.01  -0.00     0.08   0.03   0.03
    15   6    -0.02  -0.10   0.10     0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    16   1     0.08  -0.33  -0.07     0.05  -0.13  -0.01    -0.12   0.33   0.04
    17   1     0.00  -0.17  -0.05    -0.03  -0.05  -0.02     0.03  -0.03   0.00
    18   1     0.05  -0.04  -0.01     0.10  -0.01   0.01    -0.12   0.01  -0.01
    19   1    -0.01   0.06  -0.03    -0.15  -0.01  -0.02     0.09  -0.02   0.01
    20   1     0.30  -0.23   0.16    -0.02   0.01  -0.01     0.02   0.05  -0.01
    21   1    -0.07   0.16  -0.14     0.01  -0.01   0.02    -0.02   0.07   0.00
    22   1     0.21  -0.13   0.01    -0.01  -0.01   0.02     0.03  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1194.1833              1217.7573              1242.5518
 Red. masses --      1.5167                 1.5827                 1.9720
 Frc consts  --      1.2743                 1.3828                 1.7939
 IR Inten    --      0.7081                 0.0174                 2.8113
 RamAct Fr= 1--      1.4497                12.3316                26.2021
  Dep-P Fr= 1--      0.5603                 0.2311                 0.0838
  Dep-U Fr= 1--      0.7182                 0.3754                 0.1547
 Alpha2 Fr= 1--      0.0052                 0.1540                 0.4772
 Beta2  Fr= 1--      0.1735                 0.7716                 0.6754
 AlphaG Fr= 1--     -0.0004                -0.0605                -0.0227
 Gamma2 Fr= 1--     -0.3759                 2.4009                -1.8085
 Delta2 Fr= 1--     -0.0114                 0.8196                -0.5192
 Raman1 Fr= 1--       5.799                 49.327                104.809
 ROA1   Fr= 1--     -36.456                256.712               -190.234
 CID1   Fr= 1--      -6.287                  5.204                 -1.815
 Raman2 Fr= 1--       2.082                  9.259                  8.105
 ROA2   Fr= 1--      -8.931                 51.064                -39.252
 CID2   Fr= 1--      -4.289                  5.515                 -4.843
 Raman3 Fr= 1--       4.165                 18.518                 16.209
 ROA3   Fr= 1--     -36.456                256.712               -190.234
 CID3   Fr= 1--      -8.754                 13.863                -11.736
 RC180  Fr= 1--       0.436                 -0.249                 -0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.08   0.00  -0.01
     2   6     0.01  -0.02  -0.00     0.06   0.02  -0.01     0.04   0.05  -0.00
     3   6    -0.01   0.02  -0.00    -0.02  -0.02   0.00    -0.03  -0.06  -0.01
     4   6     0.00  -0.02   0.05    -0.12  -0.11  -0.00    -0.07  -0.11   0.02
     5   6     0.06   0.00  -0.06    -0.01  -0.02  -0.01    -0.16   0.03   0.05
     6   6     0.01   0.00   0.01    -0.01   0.04   0.01    -0.07   0.02   0.00
     7   6     0.03   0.07   0.13    -0.01   0.00  -0.02     0.07  -0.02   0.03
     8   6    -0.00  -0.04  -0.07     0.04  -0.02   0.07    -0.02   0.02  -0.07
     9   6    -0.03   0.02  -0.03    -0.05   0.07  -0.05     0.04   0.04   0.03
    10   1    -0.14   0.08   0.01     0.08  -0.08  -0.01     0.18  -0.08  -0.02
    11   1    -0.00  -0.12   0.00     0.11   0.26   0.01     0.06   0.13   0.01
    12   1     0.03   0.03   0.02     0.24   0.07  -0.02     0.27   0.04  -0.01
    13   1    -0.08  -0.03  -0.02     0.06   0.07  -0.01     0.29   0.15   0.00
    14   1    -0.34  -0.07   0.06    -0.24  -0.12  -0.06     0.57  -0.03   0.14
    15   6    -0.02  -0.04  -0.05     0.01   0.01   0.02    -0.02  -0.00  -0.06
    16   1    -0.08   0.33   0.09    -0.12   0.29   0.01     0.11  -0.14   0.04
    17   1     0.03  -0.46  -0.09     0.19  -0.05   0.04    -0.11  -0.02  -0.05
    18   1     0.53   0.09   0.02     0.01   0.14  -0.01     0.41  -0.02   0.02
    19   1    -0.19  -0.03   0.00     0.73   0.06   0.06    -0.22   0.08  -0.05
    20   1    -0.04   0.20  -0.05     0.01  -0.07   0.02    -0.04   0.17  -0.06
    21   1    -0.02   0.13   0.09     0.01  -0.04  -0.01    -0.00   0.05   0.05
    22   1     0.07  -0.13   0.14    -0.03   0.04  -0.04     0.05  -0.07   0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1297.0190              1305.9485              1324.7066
 Red. masses --      1.3692                 1.6613                 1.3799
 Frc consts  --      1.3571                 1.6694                 1.4267
 IR Inten    --      1.3353                 0.3038                 1.5608
 RamAct Fr= 1--      4.1400                 5.8029                 3.7945
  Dep-P Fr= 1--      0.2479                 0.4010                 0.2827
  Dep-U Fr= 1--      0.3973                 0.5725                 0.4408
 Alpha2 Fr= 1--      0.0494                 0.0428                 0.0410
 Beta2  Fr= 1--      0.2741                 0.5537                 0.2788
 AlphaG Fr= 1--     -0.0622                 0.0230                 0.0374
 Gamma2 Fr= 1--      1.3273                -0.1461                -0.8914
 Delta2 Fr= 1--      0.7006                -0.6839                -0.5894
 Raman1 Fr= 1--      16.560                 23.211                 15.178
 ROA1   Fr= 1--     149.837                -35.914               -104.434
 CID1   Fr= 1--       9.048                 -1.547                 -6.881
 Raman2 Fr= 1--       3.290                  6.644                  3.345
 ROA2   Fr= 1--      26.249                  1.963                -16.678
 CID2   Fr= 1--       7.979                  0.296                 -4.986
 Raman3 Fr= 1--       6.579                 13.288                  6.690
 ROA3   Fr= 1--     149.837                -35.914               -104.434
 CID3   Fr= 1--      22.774                 -2.703                -15.610
 RC180  Fr= 1--      -0.205                  0.145                 -0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.04   0.01     0.03  -0.03  -0.00
     2   6     0.01  -0.04  -0.00    -0.01  -0.04  -0.00     0.01   0.04   0.00
     3   6     0.02  -0.03  -0.01     0.05   0.03  -0.01    -0.04  -0.01   0.00
     4   6    -0.08   0.07   0.03    -0.02   0.04   0.02     0.03  -0.04   0.00
     5   6     0.04   0.06  -0.00     0.00  -0.11   0.01    -0.01   0.04  -0.02
     6   6     0.04  -0.02  -0.01     0.04   0.03  -0.01    -0.04  -0.01   0.01
     7   6    -0.00  -0.00  -0.03    -0.09  -0.07  -0.01     0.08  -0.01  -0.03
     8   6     0.01   0.05  -0.00     0.08  -0.02  -0.07     0.01  -0.10  -0.02
     9   6    -0.07  -0.05   0.02    -0.09  -0.00   0.02     0.01   0.03   0.04
    10   1    -0.11   0.06   0.01     0.11  -0.08  -0.02    -0.03   0.03   0.00
    11   1     0.04   0.15   0.01     0.01   0.05   0.00    -0.00  -0.05  -0.00
    12   1     0.37   0.10  -0.03    -0.15  -0.05   0.02     0.03   0.02  -0.01
    13   1    -0.41  -0.19   0.03     0.11   0.06   0.01     0.04   0.02  -0.01
    14   1    -0.03  -0.23  -0.02     0.28   0.61   0.03    -0.52   0.15  -0.15
    15   6     0.01  -0.00  -0.00     0.02   0.03   0.03    -0.02   0.01   0.04
    16   1     0.19  -0.42  -0.03     0.06   0.27   0.13    -0.06   0.13   0.02
    17   1    -0.12   0.25   0.03    -0.18   0.15  -0.01    -0.23   0.66   0.06
    18   1     0.45  -0.02   0.05     0.47   0.02   0.05     0.18  -0.05   0.00
    19   1     0.12  -0.03   0.01     0.12   0.06  -0.02    -0.21   0.07  -0.04
    20   1    -0.02   0.02  -0.01    -0.04  -0.11   0.02     0.09  -0.05   0.06
    21   1     0.01  -0.01   0.00     0.01  -0.07  -0.05    -0.04   0.04  -0.10
    22   1    -0.02   0.01  -0.01    -0.08   0.08  -0.05     0.04   0.06  -0.12
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1335.0554              1358.9384              1367.5134
 Red. masses --      1.5676                 3.2740                 1.6180
 Frc consts  --      1.6462                 3.5623                 1.7827
 IR Inten    --      2.2313                 5.1057                 4.5271
 RamAct Fr= 1--      1.8394                13.3587                 9.0469
  Dep-P Fr= 1--      0.7251                 0.1026                 0.4990
  Dep-U Fr= 1--      0.8406                 0.1861                 0.6658
 Alpha2 Fr= 1--      0.0008                 0.2324                 0.0449
 Beta2  Fr= 1--      0.2577                 0.4144                 1.0039
 AlphaG Fr= 1--      0.0139                -0.0167                 0.0589
 Gamma2 Fr= 1--      0.7437                -0.4654                 1.4076
 Delta2 Fr= 1--      0.0788                -0.4055                 0.6887
 Raman1 Fr= 1--       7.357                 53.435                 36.188
 ROA1   Fr= 1--      73.917                -57.655                157.163
 CID1   Fr= 1--      10.047                 -1.079                  4.343
 Raman2 Fr= 1--       3.092                  4.973                 12.047
 ROA2   Fr= 1--      17.218                 -7.926                 28.272
 CID2   Fr= 1--       5.568                 -1.594                  2.347
 Raman3 Fr= 1--       6.185                  9.945                 24.094
 ROA3   Fr= 1--      73.917                -57.655                157.163
 CID3   Fr= 1--      11.951                 -5.797                  6.523
 RC180  Fr= 1--       0.681                 -0.628                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.01     0.09  -0.12  -0.02     0.03  -0.01  -0.00
     2   6     0.02   0.01  -0.00    -0.01   0.17   0.01    -0.00   0.02   0.00
     3   6    -0.07  -0.03   0.01    -0.11  -0.02   0.01    -0.02  -0.02   0.00
     4   6    -0.05  -0.02  -0.00     0.21  -0.07  -0.03     0.01   0.02   0.00
     5   6     0.07   0.09   0.01     0.10   0.14   0.01    -0.02   0.04  -0.01
     6   6     0.02  -0.00  -0.00    -0.13  -0.06   0.01    -0.03  -0.02   0.00
     7   6    -0.09  -0.06   0.01    -0.13   0.00  -0.01     0.11  -0.14   0.02
     8   6     0.01  -0.04  -0.02     0.03   0.02   0.01    -0.04   0.11  -0.01
     9   6     0.09   0.02  -0.00    -0.15  -0.03   0.00    -0.02  -0.03  -0.01
    10   1    -0.26   0.17   0.04    -0.18   0.10   0.03    -0.01   0.02   0.00
    11   1     0.06   0.19   0.01    -0.12  -0.40  -0.02    -0.00  -0.00  -0.00
    12   1     0.36   0.13  -0.03    -0.18  -0.05   0.02     0.09   0.02  -0.01
    13   1    -0.36  -0.15   0.04     0.11   0.03  -0.00     0.01  -0.00  -0.01
    14   1     0.26   0.34   0.06     0.32  -0.04   0.08    -0.35   0.63  -0.11
    15   6     0.03   0.01   0.01     0.04   0.01  -0.02    -0.04   0.04   0.04
    16   1    -0.12   0.35   0.04     0.04  -0.04  -0.03     0.13  -0.26   0.00
    17   1    -0.01  -0.08  -0.02    -0.06  -0.03   0.02     0.16  -0.47  -0.08
    18   1    -0.26   0.02  -0.02     0.34  -0.04   0.01     0.00   0.04   0.02
    19   1    -0.28   0.00  -0.03     0.49   0.01   0.04     0.11  -0.01  -0.01
    20   1    -0.11  -0.03  -0.02    -0.10  -0.06  -0.04     0.07  -0.09   0.05
    21   1     0.02  -0.02  -0.02     0.06  -0.11   0.06    -0.06   0.00  -0.13
    22   1    -0.12   0.06  -0.00    -0.07  -0.01   0.09     0.06   0.06  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1413.0918              1483.8545              1491.6230
 Red. masses --      1.2311                 1.1182                 1.4232
 Frc consts  --      1.4484                 1.4506                 1.8656
 IR Inten    --      3.6476                 2.9737                 5.5882
 RamAct Fr= 1--      0.5576                13.5596                 3.9315
  Dep-P Fr= 1--      0.7500                 0.5458                 0.7398
  Dep-U Fr= 1--      0.8571                 0.7062                 0.8504
 Alpha2 Fr= 1--      0.0000                 0.0531                 0.0007
 Beta2  Fr= 1--      0.0797                 1.5959                 0.5572
 AlphaG Fr= 1--     -0.0000                -0.0130                -0.0044
 Gamma2 Fr= 1--      0.1718                -2.3225                -3.3265
 Delta2 Fr= 1--     -0.0695                -1.4867                 1.4703
 Raman1 Fr= 1--       2.230                 54.238                 15.726
 ROA1   Fr= 1--      14.269               -270.538               -272.296
 CID1   Fr= 1--       6.398                 -4.988                -17.315
 Raman2 Fr= 1--       0.956                 19.151                  6.687
 ROA2   Fr= 1--       4.679                -43.848                -91.599
 CID2   Fr= 1--       4.895                 -2.290                -13.699
 Raman3 Fr= 1--       1.912                 38.301                 13.373
 ROA3   Fr= 1--      14.269               -270.538               -272.296
 CID3   Fr= 1--       7.464                 -7.063                -20.361
 RC180  Fr= 1--       0.714                  0.412                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.09  -0.03  -0.01
     2   6    -0.00   0.01   0.00     0.01   0.01  -0.00    -0.05  -0.08  -0.00
     3   6     0.01  -0.00  -0.00    -0.02  -0.02   0.00    -0.03   0.05   0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.00  -0.01
     5   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.04  -0.05   0.00
     6   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.01   0.05   0.01
     7   6    -0.00   0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
     8   6    -0.00   0.01   0.00     0.04   0.01   0.02     0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.00     0.01  -0.07   0.01    -0.02   0.00  -0.00
    10   1     0.02  -0.02  -0.00     0.05  -0.04  -0.01    -0.25   0.26   0.05
    11   1    -0.01  -0.03  -0.00     0.01  -0.02  -0.00     0.01   0.34   0.02
    12   1    -0.03  -0.01   0.00     0.07   0.02  -0.01     0.01   0.07   0.00
    13   1     0.04   0.01  -0.00     0.09   0.03  -0.01    -0.06   0.05   0.01
    14   1    -0.00  -0.00  -0.01    -0.02  -0.02  -0.00     0.02   0.01  -0.00
    15   6     0.07  -0.10   0.06     0.00  -0.01  -0.00    -0.03  -0.04  -0.01
    16   1     0.03  -0.04   0.02    -0.16  -0.02  -0.35    -0.03   0.01  -0.06
    17   1     0.04  -0.03  -0.00    -0.36  -0.12   0.08    -0.06  -0.04   0.02
    18   1    -0.00   0.00  -0.00    -0.06   0.51   0.26     0.02  -0.04  -0.02
    19   1     0.03  -0.01   0.01    -0.02   0.36  -0.44     0.06  -0.02   0.03
    20   1    -0.35   0.45  -0.03     0.05   0.00   0.01     0.49   0.31   0.09
    21   1    -0.05   0.47  -0.32     0.00   0.06   0.06     0.03   0.04   0.45
    22   1    -0.36   0.22  -0.36    -0.06   0.01  -0.00    -0.08   0.14  -0.34
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1499.0883              1499.5237              1503.0984
 Red. masses --      1.1196                 1.3717                 1.1064
 Frc consts  --      1.4825                 1.8172                 1.4727
 IR Inten    --      2.6461                 2.2977                 9.0771
 RamAct Fr= 1--      7.9960                 5.1834                 6.2176
  Dep-P Fr= 1--      0.2295                 0.7130                 0.7443
  Dep-U Fr= 1--      0.3733                 0.8325                 0.8534
 Alpha2 Fr= 1--      0.1003                 0.0033                 0.0006
 Beta2  Fr= 1--      0.4974                 0.7192                 0.8843
 AlphaG Fr= 1--     -0.0892                 0.0031                -0.0004
 Gamma2 Fr= 1--      0.1255                 4.9242                -1.9948
 Delta2 Fr= 1--      0.9545                 0.1018                -0.8831
 Raman1 Fr= 1--      31.984                 20.733                 24.870
 ROA1   Fr= 1--      42.589                475.979               -219.762
 CID1   Fr= 1--       1.332                 22.957                 -8.836
 Raman2 Fr= 1--       5.969                  8.630                 10.612
 ROA2   Fr= 1--      -4.625                117.365                -40.811
 CID2   Fr= 1--      -0.775                 13.600                 -3.846
 Raman3 Fr= 1--      11.939                 17.260                 21.224
 ROA3   Fr= 1--      42.589                475.979               -219.762
 CID3   Fr= 1--       3.567                 27.577                -10.354
 RC180  Fr= 1--      -0.253                  0.665                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00    -0.08   0.01   0.01    -0.03   0.01   0.00
     2   6    -0.02  -0.02   0.00     0.04   0.08   0.00     0.02   0.02  -0.00
     3   6    -0.01   0.01   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6     0.03   0.00  -0.00    -0.06  -0.01   0.01    -0.02   0.01   0.00
     5   6    -0.00  -0.02  -0.00     0.03   0.05   0.00     0.03   0.01  -0.00
     6   6    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     7   6    -0.02   0.02   0.01    -0.03  -0.03  -0.01    -0.02  -0.00   0.01
     8   6    -0.05  -0.02  -0.02    -0.03  -0.00  -0.01     0.04   0.01   0.01
     9   6    -0.01  -0.04   0.01     0.02  -0.01  -0.00     0.01   0.02  -0.00
    10   1    -0.08   0.08   0.02     0.17  -0.21  -0.03     0.09  -0.08  -0.02
    11   1     0.00   0.10   0.01    -0.03  -0.33  -0.02     0.01  -0.09  -0.01
    12   1     0.00   0.02   0.00    -0.06  -0.08   0.00     0.03  -0.01  -0.00
    13   1    -0.03   0.01   0.00    -0.01  -0.06  -0.00     0.03  -0.01  -0.01
    14   1     0.04  -0.06   0.03     0.03   0.05  -0.00     0.04  -0.01   0.03
    15   6    -0.01   0.01   0.02    -0.02  -0.02  -0.02    -0.03   0.00   0.03
    16   1     0.16   0.03   0.38     0.12   0.02   0.26    -0.13   0.02  -0.27
    17   1     0.38   0.15  -0.08     0.27   0.10  -0.05    -0.28  -0.13   0.06
    18   1    -0.02   0.30   0.15    -0.02   0.11   0.05    -0.00  -0.16  -0.08
    19   1     0.02   0.22  -0.27    -0.02   0.06  -0.09    -0.02  -0.12   0.15
    20   1    -0.15   0.20  -0.02     0.46   0.22   0.08    -0.00   0.40   0.02
    21   1    -0.01  -0.32  -0.24     0.04   0.04   0.46     0.00  -0.42  -0.14
    22   1     0.36  -0.04  -0.16    -0.12   0.12  -0.26     0.45   0.03  -0.39
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1515.4996              1628.0046              1650.5991
 Red. masses --      2.3931                 6.2034                 6.3481
 Frc consts  --      3.2383                 9.6871                10.1900
 IR Inten    --     16.8126                 0.4329                 1.1794
 RamAct Fr= 1--      2.1428                14.1050                25.8949
  Dep-P Fr= 1--      0.3554                 0.6177                 0.7383
  Dep-U Fr= 1--      0.5244                 0.7637                 0.8494
 Alpha2 Fr= 1--      0.0185                 0.0342                 0.0052
 Beta2  Fr= 1--      0.1873                 1.7953                 3.6659
 AlphaG Fr= 1--     -0.0168                -0.0329                 0.0194
 Gamma2 Fr= 1--      0.1934                 0.1399                 0.2622
 Delta2 Fr= 1--      0.0306                -0.5769                -0.0786
 Raman1 Fr= 1--       8.571                 56.420                103.580
 ROA1   Fr= 1--      19.545                 -5.033                 22.652
 CID1   Fr= 1--       2.280                 -0.089                  0.219
 Raman2 Fr= 1--       2.247                 21.544                 43.991
 ROA2   Fr= 1--       4.396                  7.972                  6.921
 CID2   Fr= 1--       1.956                  0.370                  0.157
 Raman3 Fr= 1--       4.495                 43.087                 87.983
 ROA3   Fr= 1--      19.545                 -5.033                 22.652
 CID3   Fr= 1--       4.348                 -0.117                  0.257
 RC180  Fr= 1--       0.049                  0.527                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.00     0.18  -0.28  -0.04     0.20  -0.01  -0.02
     2   6     0.07  -0.03  -0.01    -0.03   0.34   0.03    -0.14  -0.12   0.01
     3   6    -0.15  -0.07   0.01     0.09  -0.14  -0.02     0.33   0.11  -0.03
     4   6     0.02   0.17   0.01    -0.19   0.23   0.04    -0.29  -0.03   0.03
     5   6     0.13  -0.10  -0.02    -0.00  -0.31  -0.02     0.23   0.16  -0.01
     6   6    -0.15  -0.06   0.01    -0.01   0.17   0.01    -0.32  -0.13   0.03
     7   6    -0.03   0.03   0.00     0.01   0.03   0.00    -0.03  -0.02   0.00
     8   6    -0.02  -0.01  -0.01     0.02   0.00  -0.00     0.00  -0.01  -0.00
     9   6    -0.00  -0.02  -0.01     0.03  -0.01  -0.01     0.04   0.01  -0.00
    10   1     0.24  -0.09  -0.03    -0.39   0.18   0.06    -0.05   0.21   0.02
    11   1     0.12   0.17  -0.00    -0.17  -0.42  -0.01    -0.11   0.18   0.02
    12   1     0.50   0.19  -0.04    -0.02  -0.20  -0.01    -0.41  -0.18   0.03
    13   1     0.52   0.19  -0.04    -0.18   0.12   0.03     0.43   0.15  -0.03
    14   1    -0.04  -0.04  -0.00    -0.04  -0.04  -0.01    -0.02   0.02  -0.00
    15   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    16   1     0.08   0.01   0.17     0.02   0.01   0.00    -0.01   0.03   0.00
    17   1     0.17   0.07  -0.03    -0.01  -0.00   0.00    -0.01   0.03   0.00
    18   1    -0.06  -0.14  -0.06    -0.05  -0.07  -0.04    -0.00   0.02   0.01
    19   1    -0.11  -0.14   0.11    -0.14  -0.09   0.07    -0.08  -0.00  -0.01
    20   1     0.07  -0.02   0.01    -0.01  -0.02   0.00     0.03   0.01   0.00
    21   1     0.00   0.06   0.09    -0.01   0.02  -0.04     0.01  -0.04   0.05
    22   1    -0.07   0.01   0.02     0.03  -0.02   0.03    -0.01   0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   2975.1996              3010.4162              3027.1549
 Red. masses --      1.0817                 1.0712                 1.0386
 Frc consts  --      5.6412                 5.7196                 5.6073
 IR Inten    --     22.0783                29.9334                13.4248
 RamAct Fr= 1--    208.7394               221.1802               118.3597
  Dep-P Fr= 1--      0.1765                 0.1633                 0.0347
  Dep-U Fr= 1--      0.3000                 0.2808                 0.0670
 Alpha2 Fr= 1--      3.0151                 3.3049                 2.4246
 Beta2  Fr= 1--     10.4374                10.3515                 1.3219
 AlphaG Fr= 1--      0.1614                -0.2401                -0.0331
 Gamma2 Fr= 1--      6.7483                -8.2315                 4.5541
 Delta2 Fr= 1--      1.2674                 6.9200                 4.1940
 Raman1 Fr= 1--     834.957                884.721                473.439
 ROA1   Fr= 1--     688.392               -568.785                571.402
 CID1   Fr= 1--       0.824                 -0.643                  1.207
 Raman2 Fr= 1--     125.249                124.218                 15.862
 ROA2   Fr= 1--     151.820               -252.916                 75.747
 CID2   Fr= 1--       1.212                 -2.036                  4.775
 Raman3 Fr= 1--     250.498                248.435                 31.724
 ROA3   Fr= 1--     688.392               -568.785                571.402
 CID3   Fr= 1--       2.748                 -2.289                 18.011
 RC180  Fr= 1--      -0.400                 -0.438                 -0.866
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.08    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01     0.01   0.00   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.05  -0.06     0.00  -0.01   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    14   1    -0.19   0.05   0.96     0.01  -0.00  -0.04     0.00   0.00  -0.02
    15   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.03
    16   1     0.04   0.01  -0.02     0.04   0.02  -0.02    -0.11  -0.05   0.07
    17   1    -0.02   0.01  -0.11    -0.03   0.01  -0.14    -0.05   0.02  -0.32
    18   1    -0.00  -0.01   0.02    -0.04  -0.39   0.87     0.00   0.02  -0.06
    19   1    -0.00   0.00   0.00     0.02  -0.14  -0.16    -0.00   0.05   0.05
    20   1     0.02  -0.00  -0.08    -0.01   0.00   0.03    -0.12   0.01   0.57
    21   1     0.03   0.01  -0.00     0.02   0.00  -0.00     0.53   0.06  -0.07
    22   1    -0.01  -0.03  -0.01    -0.00  -0.01  -0.01    -0.14  -0.42  -0.19
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3032.3421              3072.4018              3087.7679
 Red. masses --      1.0614                 1.0903                 1.1012
 Frc consts  --      5.7504                 6.0640                 6.1862
 IR Inten    --     48.5007                32.5621                 3.5992
 RamAct Fr= 1--    139.1762               158.0189                54.1245
  Dep-P Fr= 1--      0.0837                 0.2232                 0.6137
  Dep-U Fr= 1--      0.1544                 0.3649                 0.7606
 Alpha2 Fr= 1--      2.5355                 2.0167                 0.1355
 Beta2  Fr= 1--      3.5826                 9.6099                 6.8611
 AlphaG Fr= 1--      0.1615                -2.0017                 0.0712
 Gamma2 Fr= 1--     -6.3740               -13.8573               -50.2348
 Delta2 Fr= 1--     -9.3117                -8.5727               -35.2116
 Raman1 Fr= 1--     556.705                632.076                216.498
 ROA1   Fr= 1--    -909.878              -1604.627              -5949.310
 CID1   Fr= 1--      -1.634                 -2.539                -27.480
 Raman2 Fr= 1--      42.991                115.319                 82.333
 ROA2   Fr= 1--     -78.482               -263.994               -923.942
 CID2   Fr= 1--      -1.826                 -2.289                -11.222
 Raman3 Fr= 1--      85.982                230.637                164.666
 ROA3   Fr= 1--    -909.878              -1604.627              -5949.310
 CID3   Fr= 1--     -10.582                 -6.957                -36.130
 RC180  Fr= 1--      -0.691                 -0.270                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.03  -0.01  -0.05    -0.02  -0.01   0.00    -0.04  -0.02   0.05
     9   6    -0.00   0.01   0.01     0.01  -0.05  -0.07    -0.00   0.00   0.02
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    13   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.00   0.07     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    15   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.04  -0.00  -0.05
    16   1     0.27   0.12  -0.17     0.20   0.08  -0.11     0.54   0.23  -0.29
    17   1     0.14  -0.05   0.82     0.01  -0.01   0.09    -0.05   0.01  -0.25
    18   1    -0.00  -0.02   0.06    -0.01  -0.10   0.17     0.00   0.05  -0.09
    19   1     0.01  -0.13  -0.13    -0.08   0.69   0.63     0.01  -0.10  -0.09
    20   1    -0.04   0.00   0.20    -0.00  -0.00   0.02    -0.09   0.01   0.49
    21   1     0.21   0.02  -0.03    -0.00  -0.00   0.00    -0.47  -0.05   0.05
    22   1    -0.06  -0.20  -0.08    -0.00  -0.01  -0.00     0.03   0.06   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9642              3093.2323              3160.9321
 Red. masses --      1.1009                 1.1013                 1.0856
 Frc consts  --      6.1929                 6.2082                 6.3910
 IR Inten    --     54.3604                47.0453                 5.9444
 RamAct Fr= 1--    161.4749                93.1947                33.5960
  Dep-P Fr= 1--      0.5811                 0.4460                 0.6093
  Dep-U Fr= 1--      0.7351                 0.6168                 0.7572
 Alpha2 Fr= 1--      0.5111                 0.5806                 0.0870
 Beta2  Fr= 1--     19.7824                 9.5809                 4.2400
 AlphaG Fr= 1--      0.7012                -0.7632                -0.0323
 Gamma2 Fr= 1--     13.1979                49.8258                -0.3114
 Delta2 Fr= 1--      1.1399                42.9430                 0.6735
 Raman1 Fr= 1--     645.900                372.779                134.384
 ROA1   Fr= 1--    1303.477               6157.457                 -8.339
 CID1   Fr= 1--       2.018                 16.518                 -0.062
 Raman2 Fr= 1--     237.389                114.971                 50.880
 ROA2   Fr= 1--     307.631                852.276                -12.861
 CID2   Fr= 1--       1.296                  7.413                 -0.253
 Raman3 Fr= 1--     474.777                229.942                101.761
 ROA3   Fr= 1--    1303.477               6157.457                 -8.339
 CID3   Fr= 1--       2.745                 26.778                 -0.082
 RC180  Fr= 1--       0.470                  0.234                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.03  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04   0.01   0.01
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.01
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   6    -0.03  -0.01   0.03     0.03   0.01  -0.03     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.26  -0.31   0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.49  -0.08  -0.06
    12   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.23   0.62   0.08
    13   1     0.01  -0.02  -0.00     0.01  -0.02  -0.00    -0.12   0.33   0.04
    14   1     0.01  -0.00  -0.04    -0.02   0.01   0.11    -0.00   0.00   0.00
    15   6    -0.07  -0.05  -0.00     0.00  -0.04  -0.07    -0.00  -0.00  -0.00
    16   1     0.34   0.14  -0.18    -0.38  -0.16   0.20    -0.00  -0.00   0.00
    17   1    -0.03   0.01  -0.15     0.04  -0.01   0.21     0.00   0.00   0.00
    18   1     0.00   0.03  -0.05    -0.00  -0.03   0.06     0.00   0.00  -0.00
    19   1     0.01  -0.05  -0.05    -0.01   0.06   0.05     0.00   0.01   0.01
    20   1     0.00  -0.01  -0.10    -0.12  -0.01   0.57    -0.00  -0.00   0.00
    21   1     0.65   0.06  -0.09    -0.09  -0.02  -0.00     0.00   0.00  -0.00
    22   1     0.16   0.53   0.23     0.17   0.53   0.21     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3167.0193              3178.1278              3191.0599
 Red. masses --      1.0880                 1.0920                 1.0966
 Frc consts  --      6.4296                 6.4987                 6.5791
 IR Inten    --      2.1158                28.2482                22.0176
 RamAct Fr= 1--    143.6614                65.1884               313.4587
  Dep-P Fr= 1--      0.5587                 0.7464                 0.1047
  Dep-U Fr= 1--      0.7169                 0.8548                 0.1895
 Alpha2 Fr= 1--      0.5225                 0.0040                 5.4255
 Beta2  Fr= 1--     17.1642                 9.2867                 9.9019
 AlphaG Fr= 1--      0.0152                -0.0163                 0.3250
 Gamma2 Fr= 1--      0.4449                 0.0438                 2.7162
 Delta2 Fr= 1--      0.2995                -3.2140                 2.7669
 Raman1 Fr= 1--     574.646                260.754               1253.835
 ROA1   Fr= 1--      52.295                -98.643                349.290
 CID1   Fr= 1--       0.091                 -0.378                  0.279
 Raman2 Fr= 1--     205.971                111.441                118.823
 ROA2   Fr= 1--       8.281                 26.763                 43.053
 CID2   Fr= 1--       0.040                  0.240                  0.362
 Raman3 Fr= 1--     411.942                222.881                237.645
 ROA3   Fr= 1--      52.295                -98.643                349.290
 CID3   Fr= 1--       0.127                 -0.443                  1.470
 RC180  Fr= 1--       0.434                  0.710                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.00     0.03   0.03  -0.00    -0.04  -0.05   0.00
     2   6     0.01  -0.00  -0.00    -0.05   0.01   0.01    -0.06   0.01   0.01
     3   6    -0.02   0.05   0.01    -0.01   0.03   0.00    -0.01   0.02   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.02   0.04   0.01     0.01  -0.02  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   1    -0.28  -0.34   0.01    -0.30  -0.35   0.01     0.42   0.50  -0.01
    11   1    -0.09   0.02   0.01     0.55  -0.09  -0.07     0.63  -0.10  -0.08
    12   1     0.20  -0.52  -0.06     0.14  -0.38  -0.05     0.08  -0.23  -0.03
    13   1    -0.23   0.65   0.07     0.18  -0.51  -0.06    -0.10   0.28   0.03
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   754.660911465.567862134.52425
           X            0.99990  -0.01400   0.00153
           Y            0.01401   0.99990  -0.00236
           Z           -0.00150   0.00238   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11477     0.05910     0.04058
 Rotational constants (GHZ):           2.39146     1.23143     0.84550
 Zero-point vibrational energy     504249.2 (Joules/Mol)
                                  120.51845 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.01   214.52   304.21   342.74   380.22
          (Kelvin)            571.91   609.32   660.34   748.09   768.79
                              853.78   894.16  1054.05  1081.05  1104.70
                             1172.50  1234.12  1268.81  1321.23  1346.69
                             1383.98  1395.29  1414.20  1492.31  1515.07
                             1586.09  1591.81  1626.48  1701.10  1704.54
                             1718.16  1752.08  1787.75  1866.12  1878.97
                             1905.96  1920.85  1955.21  1967.55  2033.12
                             2134.94  2146.11  2156.85  2157.48  2162.62
                             2180.47  2342.34  2374.84  4280.65  4331.32
                             4355.40  4362.86  4420.50  4442.61  4445.77
                             4450.47  4547.88  4556.63  4572.62  4591.22
 
 Zero-point correction=                           0.192058 (Hartree/Particle)
 Thermal correction to Energy=                    0.200364
 Thermal correction to Enthalpy=                  0.201308
 Thermal correction to Gibbs Free Energy=         0.159215
 Sum of electronic and zero-point Energies=           -388.292300
 Sum of electronic and thermal Energies=              -388.283994
 Sum of electronic and thermal Enthalpies=            -388.283050
 Sum of electronic and thermal Free Energies=         -388.325143
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.730             33.807             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.247
 Vibrational            123.953             27.846             18.798
 Vibration     1          0.605              1.944              3.334
 Vibration     2          0.618              1.904              2.684
 Vibration     3          0.643              1.823              2.031
 Vibration     4          0.656              1.782              1.816
 Vibration     5          0.671              1.738              1.633
 Vibration     6          0.764              1.475              0.972
 Vibration     7          0.786              1.419              0.880
 Vibration     8          0.817              1.341              0.769
 Vibration     9          0.875              1.206              0.610
 Vibration    10          0.889              1.174              0.578
 Vibration    11          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.583844D-73        -73.233703       -168.626833
 Total V=0       0.127920D+16         15.106939         34.785013
 Vib (Bot)       0.177887D-86        -86.749856       -199.748926
 Vib (Bot)    1  0.192730D+01          0.284950          0.656122
 Vib (Bot)    2  0.136029D+01          0.133631          0.307697
 Vib (Bot)    3  0.938816D+00         -0.027420         -0.063136
 Vib (Bot)    4  0.823777D+00         -0.084190         -0.193855
 Vib (Bot)    5  0.733437D+00         -0.134637         -0.310013
 Vib (Bot)    6  0.449216D+00         -0.347545         -0.800251
 Vib (Bot)    7  0.413505D+00         -0.383520         -0.883086
 Vib (Bot)    8  0.370916D+00         -0.430725         -0.991781
 Vib (Bot)    9  0.310454D+00         -0.508003         -1.169720
 Vib (Bot)   10  0.298092D+00         -0.525649         -1.210352
 Vib (Bot)   11  0.253337D+00         -0.596301         -1.373035
 Vib (V=0)       0.389750D+02          1.590786          3.662920
 Vib (V=0)    1  0.249110D+01          0.396392          0.912726
 Vib (V=0)    2  0.194927D+01          0.289872          0.667455
 Vib (V=0)    3  0.156366D+01          0.194143          0.447030
 Vib (V=0)    4  0.146364D+01          0.165435          0.380929
 Vib (V=0)    5  0.138765D+01          0.142281          0.327615
 Vib (V=0)    6  0.117216D+01          0.068986          0.158846
 Vib (V=0)    7  0.114883D+01          0.060257          0.138748
 Vib (V=0)    8  0.112256D+01          0.050209          0.115610
 Vib (V=0)    9  0.108854D+01          0.036845          0.084839
 Vib (V=0)   10  0.108212D+01          0.034274          0.078918
 Vib (V=0)   11  0.106052D+01          0.025518          0.058757
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.550016D+06          5.740375         13.217702
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333333332                                                   11111111111111111111 11111                                         
   111100000009                                                   66555444433333222111 111009999988 8777    65 55 4 43    222  11    
   976699873217                                                   52100998165320941988 300538763185 1653    29 32 5 29    631  40    
   187130822705                                                   18530924389556738452 062373026828 5813    13 40 9 37    481  96    
 
   XXXXXXXXXXXX                                                   XXXXXXXXXXXXXXXX XXX XXXXXXX XXXX XXXX    XX XX X XX    X X  X     
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    X  XX XX X                                                                                       X                               
    X  XX XX X                                                                                       X                               
       XX XX X                                                                                       X                               
       XX XX                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                                                         
       XX  X                                                                                                                         
       XX  X                                                                                                                         
        X  X                                                                                                                         
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002085   -0.000006530    0.000001263
      2        6           0.000006560   -0.000001017   -0.000006946
      3        6           0.000000078   -0.000004377    0.000003077
      4        6           0.000002773    0.000008929    0.000000518
      5        6          -0.000015820    0.000013508    0.000003209
      6        6          -0.000001967    0.000001316   -0.000001321
      7        6           0.000009431   -0.000006724    0.000002191
      8        6           0.000000702    0.000001906    0.000003993
      9        6          -0.000001293   -0.000007184   -0.000000782
     10        1          -0.000000442   -0.000000205    0.000000005
     11        1           0.000000225   -0.000000429    0.000000023
     12        1           0.000000010    0.000000447   -0.000000414
     13        1           0.000001297   -0.000000295   -0.000001106
     14        1           0.000000957   -0.000000083   -0.000000071
     15        6          -0.000003738   -0.000000406    0.000000295
     16        1          -0.000000323    0.000001379   -0.000000358
     17        1          -0.000000835    0.000000397   -0.000003222
     18        1           0.000001117   -0.000000020   -0.000000430
     19        1          -0.000001342   -0.000000500   -0.000001205
     20        1           0.000001368   -0.000001377    0.000000185
     21        1           0.000000210    0.000000992    0.000000039
     22        1           0.000003118    0.000000275    0.000001056
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000015820 RMS     0.000003841
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146768D+03  0.202385D+01 -0.379004D+01
      2   0.202385D+01  0.128035D+03  0.149951D+01
      3  -0.379004D+01  0.149951D+01  0.791978D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.453658D+00  0.120819D+01  0.143565D+01
      2   0.106553D+02 -0.608959D+01  0.149777D+02
      3   0.628571D+00  0.333771D+02  0.545360D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.765727D+02 -0.170988D+02  0.151164D+02
      2   0.387886D+02  0.283058D+01 -0.141082D+02
      3   0.377841D+02  0.142682D+02 -0.100822D+01
      4  -0.284119D+02 -0.317477D+02 -0.111846D+02
      5   0.150624D+02 -0.144756D+02  0.376322D+02
      6  -0.802208D+01 -0.170495D+01  0.185948D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.761342D+00 -0.108044D+01 -0.740073D+00 -0.534433D+01  0.882636D-02
      2  -0.108044D+01 -0.229805D+01 -0.645010D+00  0.882636D-02 -0.219039D+01
      3  -0.740073D+00 -0.645010D+00 -0.115779D+01  0.710506D+00  0.437542D+00
                 6             7             8             9            10 
      1   0.710506D+00 -0.132849D+01 -0.833860D-01 -0.359480D+01 -0.484104D+01
      2   0.437542D+00 -0.833860D-01  0.454460D+00 -0.380266D+01  0.809941D+00
      3  -0.202057D+01 -0.359480D+01 -0.380266D+01  0.149232D+00 -0.506413D+00
                11            12            13            14            15 
      1   0.809941D+00 -0.506413D+00  0.170550D+01  0.238384D+01  0.195607D+00
      2  -0.258879D+01 -0.787317D-01  0.238384D+01  0.236953D+01 -0.389518D+00
      3  -0.787317D-01 -0.202374D+01  0.195607D+00 -0.389518D+00  0.610908D+00
                16            17            18            19            20 
      1  -0.687068D+00  0.591527D+00 -0.535900D+01  0.112122D+01 -0.336686D+01
      2   0.591527D+00  0.277929D+00  0.695659D+00 -0.336686D+01 -0.379007D+01
      3  -0.535900D+01  0.695659D+00  0.129418D+01 -0.266133D+00  0.614679D+00
                21            22            23            24            25 
      1  -0.266133D+00  0.512871D+01 -0.348050D+00 -0.124799D+00  0.320247D+00
      2   0.614679D+00 -0.348050D+00  0.291047D+00 -0.430770D+00  0.100253D+01
      3  -0.435434D+00 -0.124799D+00 -0.430770D+00  0.179887D+01 -0.250706D+01
                26            27            28            29            30 
      1   0.100253D+01 -0.250706D+01  0.853452D+00  0.333871D+01 -0.318431D+00
      2  -0.550070D+00  0.358483D+01  0.333871D+01  0.735097D+01 -0.198268D+00
      3   0.358483D+01  0.132699D+01 -0.318431D+00 -0.198268D+00  0.125248D+01
                31            32            33            34            35 
      1   0.125962D+02  0.452080D+01 -0.110229D+01  0.174880D+01 -0.406259D+00
      2   0.452080D+01  0.717578D+01 -0.544970D+00 -0.406259D+00 -0.233746D+00
      3  -0.110229D+01 -0.544970D+00  0.134369D+01  0.169038D+01  0.291636D+01
                36            37            38            39            40 
      1   0.169038D+01  0.166985D+02 -0.201574D+01 -0.217362D+01 -0.614333D+01
      2   0.291636D+01 -0.201574D+01  0.387409D+01  0.107851D+00 -0.333782D+01
      3   0.978971D-01 -0.217362D+01  0.107851D+00  0.188932D+01 -0.269607D-01
                41            42            43            44            45 
      1  -0.333782D+01 -0.269607D-01 -0.164156D+01 -0.419475D+00  0.321011D+01
      2  -0.963497D+00  0.574265D+00 -0.419475D+00  0.355237D+00 -0.756646D+00
      3   0.574265D+00  0.160180D+00  0.321011D+01 -0.756646D+00 -0.130387D+01
                46            47            48            49            50 
      1  -0.228478D+01  0.354038D+01  0.309783D+00 -0.607086D+01  0.763498D+00
      2   0.354038D+01  0.213881D+01 -0.403960D+00  0.763498D+00 -0.169984D+01
      3   0.309783D+00 -0.403960D+00  0.564621D+00  0.247901D+00  0.391460D+00
                51            52            53            54            55 
      1   0.247901D+00  0.141613D+00 -0.461824D+00  0.465316D+00 -0.538879D+01
      2   0.391460D+00 -0.461824D+00  0.101071D+00 -0.415546D+01  0.265600D+01
      3  -0.186059D+01  0.465316D+00 -0.415546D+01 -0.123342D+01  0.142888D+01
                56            57            58            59            60 
      1   0.265600D+01  0.142888D+01  0.325667D+01 -0.341406D+01  0.251502D+00
      2  -0.236468D+01  0.155112D+00 -0.341406D+01 -0.214296D+01 -0.154664D+01
      3   0.155112D+00 -0.208167D+01  0.251502D+00 -0.154664D+01  0.649363D+00
                61            62            63            64            65 
      1   0.398605D+01  0.741300D-01 -0.367159D+01 -0.466932D+01 -0.390159D+01
      2   0.741300D-01 -0.213366D+01  0.406350D+00 -0.390159D+01  0.108066D+01
      3  -0.367159D+01  0.406350D+00  0.874414D+01  0.219220D+01  0.727940D+00
                66            67            68            69            70 
      1   0.219220D+01 -0.384613D+01  0.661092D+00  0.910189D+00  0.371646D+01
      2   0.727940D+00  0.661092D+00  0.264472D+01  0.136939D+01  0.177644D+01
      3  -0.156088D+01  0.910189D+00  0.136939D+01  0.380305D+00 -0.256798D+01
                71            72            73            74            75 
      1   0.177644D+01 -0.256798D+01 -0.249653D+01  0.489637D+00 -0.978248D-01
      2   0.152582D+01  0.122969D+00  0.489637D+00 -0.261453D+01  0.970307D+00
      3   0.122969D+00 -0.623746D+01 -0.978248D-01  0.970307D+00 -0.124442D+00
                76            77            78            79            80 
      1  -0.398935D+00 -0.438759D+01  0.104752D+01  0.831169D+00  0.205094D+01
      2  -0.438759D+01 -0.889862D+01 -0.447948D+00  0.205094D+01  0.361992D+00
      3   0.104752D+01 -0.447948D+00 -0.372914D+01 -0.158501D+01 -0.629862D+01
                81            82            83            84            85 
      1  -0.158501D+01 -0.581845D+01 -0.437667D+01  0.190710D+00 -0.419548D+01
      2  -0.629862D+01 -0.437667D+01 -0.377956D+01  0.173492D+00 -0.489143D+01
      3   0.347672D+01  0.190710D+00  0.173492D+00 -0.564434D+00 -0.412990D-01
                86            87            88            89            90 
      1  -0.489143D+01 -0.412990D-01  0.323159D+00  0.159022D+00 -0.305288D-01
      2  -0.683185D+01  0.884234D-02  0.159022D+00 -0.917252D-02 -0.613064D-01
      3   0.884234D-02 -0.661830D+00 -0.305288D-01 -0.613064D-01 -0.820183D-02
                91            92            93            94            95 
      1  -0.136750D+02  0.139878D+01  0.143694D+01  0.154207D+01 -0.182388D+01
      2   0.139878D+01 -0.860498D+00 -0.157014D+00 -0.182388D+01  0.562293D+00
      3   0.143694D+01 -0.157014D+00 -0.101842D+01 -0.283779D+00  0.204532D+00
                96            97            98            99           100 
      1  -0.283779D+00  0.170130D+01 -0.302536D+00 -0.212958D+00 -0.230661D+01
      2   0.204532D+00 -0.302536D+00  0.190945D+00  0.702749D-01  0.253725D+01
      3   0.171896D+00 -0.212958D+00  0.702749D-01  0.158198D+00  0.363143D+00
               101           102           103           104           105 
      1   0.253725D+01  0.363143D+00  0.246665D+01 -0.383477D+01 -0.404390D+00
      2  -0.274931D+01 -0.403184D+00 -0.383477D+01  0.934344D+01  0.978618D+00
      3  -0.403184D+00 -0.423711D+00 -0.404390D+00  0.978618D+00  0.930717D+00
               106           107           108           109           110 
      1   0.353795D+00 -0.559842D+00 -0.167453D+00  0.134198D+01 -0.169920D+01
      2  -0.559842D+00  0.114173D+01  0.277766D+00 -0.169920D+01  0.199475D+01
      3  -0.167453D+00  0.277766D+00  0.119558D+00 -0.139615D+00  0.302992D+00
               111           112           113           114           115 
      1  -0.139615D+00 -0.134187D+01  0.171385D+01  0.129644D+00 -0.192874D+00
      2   0.302992D+00  0.171385D+01 -0.956967D+01 -0.963622D+00  0.268088D+00
      3   0.203639D+00  0.129644D+00 -0.963622D+00 -0.864060D+00 -0.528153D-01
               116           117           118           119           120 
      1   0.268088D+00 -0.528153D-01  0.323926D+01 -0.682728D+00 -0.210847D+01
      2  -0.929544D+00 -0.149208D+00 -0.682728D+00  0.765758D+00  0.127772D+00
      3  -0.149208D+00 -0.172119D+00 -0.210847D+01  0.127772D+00  0.189519D+01
               121           122           123           124           125 
      1  -0.112986D+01  0.168200D+01  0.114419D+00 -0.618577D+01  0.617038D+00
      2   0.168200D+01 -0.411432D+00 -0.101104D+01  0.617038D+00 -0.122489D+01
      3   0.114419D+00 -0.101104D+01 -0.357510D+00  0.412970D+01 -0.738685D+00
               126           127           128           129           130 
      1   0.412970D+01 -0.795324D+01 -0.673143D+00  0.134350D+01 -0.410903D+01
      2  -0.738685D+00 -0.673143D+00  0.294417D+01 -0.329453D+00  0.316462D+01
      3  -0.956889D+01  0.134350D+01 -0.329453D+00  0.164483D+01 -0.489240D+00
               131           132           133           134           135 
      1   0.316462D+01 -0.489240D+00  0.219145D+01 -0.114682D+01  0.102270D+01
      2   0.300757D+01  0.270930D+01 -0.114682D+01  0.316284D+01  0.789114D+00
      3   0.270930D+01  0.174641D+00  0.102270D+01  0.789114D+00 -0.634052D+01
               136           137           138           139           140 
      1   0.945332D+01  0.339170D+01 -0.182813D+01  0.294220D+01  0.222282D+01
      2   0.339170D+01  0.200288D+01 -0.652872D+00  0.222282D+01  0.169399D+01
      3  -0.182813D+01 -0.652872D+00  0.136589D+01 -0.630856D+00 -0.785812D+00
               141           142           143           144           145 
      1  -0.630856D+00 -0.405220D+01 -0.141553D+01  0.218789D+01  0.163634D+01
      2  -0.785812D+00 -0.141553D+01 -0.133633D+01  0.871733D+00  0.581091D+00
      3   0.499166D+00  0.218789D+01  0.871733D+00 -0.753240D+00  0.132749D+01
               146           147           148           149           150 
      1   0.581091D+00  0.132749D+01  0.160152D+00  0.495927D+00 -0.174865D+00
      2   0.200217D-01  0.162332D+00  0.495927D+00 -0.141249D+00  0.707082D+00
      3   0.162332D+00  0.955434D+00 -0.174865D+00  0.707082D+00 -0.386390D+00
               151           152           153           154           155 
      1   0.218929D+01  0.328132D-01  0.299563D+01  0.126193D+01  0.925973D+00
      2   0.328132D-01  0.147718D+01  0.656855D+00  0.925973D+00  0.341842D+00
      3   0.299563D+01  0.656855D+00  0.736672D+01 -0.102548D+01 -0.357709D+00
               156           157           158           159           160 
      1  -0.102548D+01  0.107626D+01  0.197292D+01 -0.653511D+00 -0.307975D+01
      2  -0.357709D+00  0.197292D+01  0.583551D+01 -0.272147D+01 -0.233866D+01
      3   0.355729D+00 -0.653511D+00 -0.272147D+01  0.238817D+01  0.155696D+01
               161           162           163           164           165 
      1  -0.233866D+01  0.155696D+01 -0.312358D+00  0.671775D+00  0.731096D+00
      2  -0.559206D+01  0.512793D+01  0.671775D+00 -0.826407D+00 -0.200671D+00
      3   0.512793D+01 -0.634036D+01  0.731096D+00 -0.200671D+00 -0.144874D+00
               166           167           168           169           170 
      1   0.148804D+01  0.141277D+01  0.215424D+00  0.977936D+00  0.326641D+00
      2   0.141277D+01  0.910023D+01  0.275992D+01  0.326641D+00  0.474653D+01
      3   0.215424D+00  0.275992D+01  0.209480D+01  0.590820D+00  0.360342D+01
               171           172           173           174           175 
      1   0.590820D+00  0.186655D+00  0.856837D-01  0.640923D+00  0.714732D+00
      2   0.360342D+01  0.856837D-01 -0.753370D+00  0.238542D+00 -0.276759D+00
      3   0.207572D+01  0.640923D+00  0.238542D+00 -0.118814D+01  0.970094D-01
               176           177           178           179           180 
      1  -0.276759D+00  0.970094D-01  0.154403D+01 -0.587285D+00  0.719014D+00
      2  -0.553126D+00  0.644108D+00 -0.587285D+00  0.153246D+01 -0.143475D+01
      3   0.644108D+00 -0.730224D-01  0.719014D+00 -0.143475D+01  0.760678D+01
               181           182           183           184           185 
      1   0.129781D+02 -0.203371D+01 -0.276012D+00  0.802476D+00  0.852965D+00
      2  -0.203371D+01  0.145876D+01 -0.802484D-01  0.852965D+00 -0.417007D+00
      3  -0.276012D+00 -0.802484D-01  0.106495D+01  0.963922D-01 -0.363205D+00
               186           187           188           189           190 
      1   0.963922D-01 -0.167429D+01  0.361011D+00  0.124594D+01  0.214055D+00
      2  -0.363205D+00  0.361011D+00 -0.771967D+00 -0.266686D+00 -0.596834D+00
      3   0.132380D+00  0.124594D+01 -0.266686D+00  0.118197D+00 -0.484462D+00
               191           192           193           194           195 
      1  -0.596834D+00 -0.484462D+00 -0.129987D+01  0.458438D+00 -0.841223D-01
      2  -0.134744D+01 -0.738974D-01  0.458438D+00 -0.820447D+01 -0.158007D+01
      3  -0.738974D-01 -0.468534D+00 -0.841223D-01 -0.158007D+01 -0.138198D+01
               196           197           198 
      1  -0.118331D+01  0.461430D+00 -0.652593D-01
      2   0.461430D+00 -0.254675D+01 -0.145923D+01
      3  -0.652593D-01 -0.145923D+01 -0.576265D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.129479D+01 -0.156270D+00 -0.295716D+01  0.124444D+01  0.987848D-01
      2   0.591511D+00  0.111272D+01  0.266271D+01 -0.458351D+00 -0.425143D+00
      3  -0.757458D+01 -0.116190D+02 -0.212275D+00  0.845311D+01 -0.252749D+01
                 6             7             8             9            10 
      1  -0.133222D+01 -0.841169D+01  0.367846D+01  0.156961D+01  0.466972D+00
      2   0.478326D+01 -0.266781D+01  0.120411D+02  0.946862D+00 -0.126231D-01
      3  -0.932979D-01  0.801843D+00  0.188290D+01 -0.561657D+01  0.439423D+01
                11            12            13            14            15 
      1   0.599922D+00  0.457412D+00  0.113247D+01 -0.114358D+01  0.126711D+01
      2  -0.138652D+00  0.638242D+01 -0.218682D+01 -0.411737D+00 -0.807419D+00
      3  -0.828811D+01 -0.231502D+00  0.127465D+02  0.397419D+01 -0.153983D+01
                16            17            18            19            20 
      1   0.226715D+01  0.123997D+02  0.842980D+00  0.121227D+01 -0.970235D+00
      2   0.874615D+01 -0.336436D+01 -0.261879D+01  0.573190D+00 -0.981463D-01
      3   0.145700D+01 -0.218507D+00  0.249101D+01 -0.291985D+01 -0.161538D+02
                21            22            23            24            25 
      1  -0.288435D+00 -0.107463D+01  0.298871D+00 -0.179012D+01  0.435560D+01
      2  -0.135854D+00  0.120796D+01  0.163689D+01 -0.454449D+01 -0.956273D+01
      3  -0.608625D+00 -0.467223D+00  0.195193D+00 -0.380875D+00  0.570874D+00
                26            27            28            29            30 
      1   0.229138D+01 -0.797986D-01 -0.183021D+01  0.181749D+01 -0.491211D+00
      2  -0.106753D+02 -0.750624D+00 -0.303850D+01 -0.156397D+01 -0.484562D+00
      3   0.894238D+00  0.575036D+01 -0.372759D+01  0.539690D+01  0.159638D+01
                31            32            33            34            35 
      1   0.209003D+01  0.864404D+00 -0.132485D+01 -0.330065D+01  0.667267D+01
      2   0.168617D+01 -0.218371D+01 -0.113514D+01 -0.151430D+02 -0.120990D+01
      3   0.971573D+01  0.233675D+02 -0.131263D+01  0.347654D+01 -0.137973D+01
                36            37            38            39            40 
      1   0.314401D+00  0.706301D+00  0.168330D+01  0.970337D+00  0.238277D+01
      2   0.118604D+01 -0.189614D+01 -0.118845D+01 -0.283738D+00 -0.932876D+00
      3   0.363667D+01 -0.885455D+01  0.121772D+02  0.162059D+01  0.111594D+02
                41            42            43            44            45 
      1  -0.264793D+00 -0.701706D+00  0.392095D+01  0.104853D+02 -0.202485D+00
      2   0.482082D+00  0.459368D+00 -0.128779D+02  0.552195D+00  0.102787D+01
      3  -0.773222D+01 -0.153025D+01 -0.910923D+00 -0.593236D+01 -0.264452D+01
                46            47            48            49            50 
      1   0.503495D+00 -0.522245D+00  0.263587D+01 -0.493646D+00 -0.103849D+01
      2  -0.265995D+01  0.192481D+01 -0.137940D+01 -0.330735D-01  0.715773D+00
      3   0.107047D+02 -0.446085D+01 -0.247895D+01  0.674997D+01 -0.678784D+01
                51            52            53            54            55 
      1  -0.256861D+01  0.482084D+01  0.442662D+00 -0.178850D+01 -0.129024D+01
      2   0.181480D+01 -0.146635D+02  0.193125D+01  0.247638D+01 -0.208376D+00
      3  -0.322730D-01 -0.420817D+01  0.135709D+01 -0.578761D+01 -0.203368D+01
                56            57            58            59            60 
      1   0.199387D+01 -0.115198D+01  0.293787D+01 -0.103130D+01 -0.139007D+01
      2   0.925493D+00 -0.788917D+00  0.144628D+01 -0.558294D+01  0.949941D+00
      3  -0.352377D+01 -0.125915D+01  0.123046D+02  0.796299D+01  0.415154D+01
                61            62            63            64            65 
      1  -0.352321D+01  0.620051D+01  0.335770D+01 -0.338624D+01 -0.119969D+01
      2  -0.109963D+02  0.850529D+00  0.134925D+02  0.725714D+01  0.352585D+01
      3  -0.400051D+01  0.739099D+01  0.216486D+01  0.832403D+01 -0.128001D+02
                66            67            68            69            70 
      1   0.185417D+01 -0.178288D+01 -0.348438D+01 -0.253235D+01  0.423084D+01
      2  -0.208432D+01  0.417465D+01  0.328590D+01  0.330961D+00 -0.123077D+02
      3   0.157964D+01 -0.808987D+01 -0.528053D+01 -0.327048D+01  0.109259D+01
                71            72            73            74            75 
      1   0.189320D+01  0.579580D+01  0.546685D+00 -0.282686D+01 -0.185603D+00
      2  -0.150368D+01 -0.122968D+02 -0.136198D+01  0.109552D+01  0.175643D+01
      3  -0.458152D+01 -0.328966D+01 -0.791980D+01  0.172165D+00 -0.131917D+01
                76            77            78            79            80 
      1  -0.671040D+00  0.492838D+01  0.727970D+01  0.632070D+01  0.228066D+02
      2   0.175257D+00  0.435288D+00 -0.249425D+01 -0.571008D+01 -0.603407D+01
      3   0.128309D+02 -0.681754D+01  0.381238D+01 -0.456495D+00  0.829815D+01
                81            82            83            84            85 
      1  -0.656595D+01  0.350435D+00  0.377042D+00 -0.240030D+01 -0.154453D+00
      2   0.288039D+01 -0.682198D+00 -0.730572D+00  0.307004D+01 -0.172695D-01
      3   0.128359D+01 -0.135325D+01 -0.475118D+01  0.273452D+00 -0.383550D+01
                86            87            88            89            90 
      1  -0.437321D-01 -0.316924D+01  0.108992D+01  0.137312D+01  0.391475D-01
      2  -0.194244D+00  0.314169D+01 -0.992600D+00 -0.966934D+00 -0.117652D+00
      3  -0.109838D+02  0.129134D+00 -0.315617D+00 -0.688301D+00  0.126449D+00
                91            92            93            94            95 
      1   0.412379D-01 -0.444886D+00  0.607552D+00 -0.235046D+00  0.142044D+00
      2  -0.205374D+01  0.238114D+00  0.625971D+01  0.700266D+00 -0.436308D+00
      3   0.241049D+01 -0.535650D+01 -0.300503D+00 -0.447815D+01  0.186834D+01
                96            97            98            99           100 
      1  -0.376677D+00 -0.495166D+00  0.237907D+00 -0.954427D-01 -0.828468D-01
      2  -0.945086D+00 -0.217605D+01  0.401526D+00 -0.603927D+00 -0.388678D+00
      3   0.600134D+00 -0.453727D+00  0.646298D+00 -0.615337D-01  0.101656D+01
               101           102           103           104           105 
      1   0.208240D+00  0.154667D+01  0.486382D-01  0.432626D+00 -0.425914D+01
      2   0.611175D+00  0.138847D+01  0.386015D+00 -0.178510D+01 -0.279642D+01
      3  -0.269154D+01 -0.368578D+00 -0.118559D+01  0.152140D+02  0.156679D+01
               106           107           108           109           110 
      1  -0.396996D+00  0.152336D+01 -0.374910D+00  0.240435D+00 -0.606004D-03
      2  -0.666107D+00  0.514116D+00 -0.317268D+00  0.611093D+00 -0.685328D+00
      3  -0.300166D+00  0.133977D+01 -0.151189D+00 -0.674712D+01  0.569631D+01
               111           112           113           114           115 
      1   0.123846D+01 -0.323978D+00  0.690561D+00 -0.422333D+01 -0.622351D+00
      2   0.182959D+00 -0.937127D+00  0.990527D+00 -0.201793D+00 -0.904923D+00
      3   0.501648D+00  0.830248D+01 -0.124215D+02 -0.114172D+01  0.109615D+01
               116           117           118           119           120 
      1   0.187508D+01 -0.282461D+00 -0.729582D+00 -0.147041D+01  0.825427D+00
      2   0.300059D+00 -0.209955D+00 -0.124136D+01 -0.113627D-01  0.344361D+01
      3  -0.186599D+01  0.157315D+00 -0.107411D+01 -0.341357D+01  0.124046D+01
               121           122           123           124           125 
      1  -0.135126D+01 -0.641347D+00 -0.897196D+00  0.997698D+00  0.263293D+01
      2   0.364556D+00 -0.137379D+00 -0.969730D+00  0.231396D+01 -0.548027D+00
      3  -0.262995D+01 -0.931304D+00  0.217582D+01  0.209829D+01  0.225109D+01
               126           127           128           129           130 
      1  -0.378910D+01  0.271223D+01  0.494359D-01  0.303309D+01 -0.231938D+01
      2  -0.151585D+02  0.807569D+01 -0.207421D+01  0.576193D+01 -0.280299D+01
      3  -0.388745D+00  0.207205D+02 -0.122079D+02 -0.160837D+01 -0.177457D+01
               131           132           133           134           135 
      1   0.905309D+01 -0.280322D+00 -0.349391D-02  0.470544D+01 -0.102347D+02
      2   0.688316D+01  0.419017D+00 -0.665511D+00  0.296702D+01 -0.160199D+02
      3  -0.181709D+02 -0.778450D+01 -0.136086D+01 -0.755156D+01 -0.451948D+01
               136           137           138           139           140 
      1   0.237375D+01  0.585919D+00 -0.248741D+01  0.723273D+00  0.762896D+00
      2  -0.483035D+01 -0.185236D+01  0.575615D+01 -0.177057D+01 -0.190214D+01
      3   0.482010D+01 -0.389440D+01 -0.972576D+00  0.469960D+00 -0.213267D+01
               141           142           143           144           145 
      1  -0.149704D+01 -0.275174D+01  0.117645D+00  0.118844D+01 -0.111727D+01
      2   0.190335D+01  0.412972D+01  0.193613D+01 -0.264937D+01  0.179035D+01
      3   0.127965D+01 -0.225832D+01  0.299509D+01  0.827335D+00 -0.273367D+00
               146           147           148           149           150 
      1   0.181868D+00 -0.142662D+01  0.306608D+00 -0.133152D+01 -0.269405D+00
      2  -0.270338D+00  0.316619D+01 -0.761526D+00  0.119803D+01 -0.694091D+00
      3  -0.203880D+00  0.138742D+01  0.185484D+01  0.228971D+01 -0.173049D+01
               151           152           153           154           155 
      1  -0.363486D+01  0.266533D+01 -0.858798D+01  0.209072D+01  0.291056D+00
      2   0.309969D+01  0.156377D+01  0.161163D+02  0.450822D+00 -0.225059D+00
      3   0.367411D+01 -0.541426D+01  0.199239D+01  0.430122D+01  0.498233D+00
               156           157           158           159           160 
      1  -0.729447D+00  0.144916D+01  0.390669D+01 -0.671596D+01 -0.364903D+01
      2   0.115518D+01  0.404157D-01 -0.199396D+01  0.206174D+01 -0.297050D+00
      3  -0.236564D+01  0.171047D+01 -0.278077D+00  0.685879D+00 -0.655008D+01
               161           162           163           164           165 
      1  -0.917314D+01  0.143172D+02 -0.110377D+01  0.660415D+00  0.514165D+00
      2   0.406914D+01 -0.504099D+01  0.239336D+00 -0.403114D+00  0.647148D+00
      3  -0.685554D+00 -0.722417D+00 -0.108016D+01 -0.284460D+00  0.173968D+01
               166           167           168           169           170 
      1  -0.172336D+01 -0.794198D+01 -0.752659D+01 -0.175789D+01 -0.811941D+01
      2  -0.266584D+00  0.230879D+01  0.165953D+01 -0.585906D+00  0.248281D+01
      3   0.476956D+01 -0.456941D+01 -0.225713D+01  0.420749D+01 -0.396262D+01
               171           172           173           174           175 
      1  -0.654436D+01  0.844826D+00 -0.534194D+00 -0.185112D+01 -0.136380D+00
      2   0.135216D+01  0.223594D+01  0.497149D+00 -0.228314D+01  0.197728D+00
      3  -0.213037D+01 -0.299486D+00  0.151951D+01 -0.159775D+01  0.122815D+01
               176           177           178           179           180 
      1   0.114347D+01 -0.113217D+01  0.450074D+00  0.125661D+01  0.134762D+02
      2   0.147734D+01 -0.444545D+00 -0.225845D+01 -0.312106D+01  0.192214D+02
      3   0.162176D+01 -0.152277D+01 -0.149160D+01 -0.357456D+01  0.360248D+01
               181           182           183           184           185 
      1  -0.210802D+00  0.149839D+00  0.201263D+01  0.291905D+00 -0.678158D+00
      2  -0.405589D+01 -0.970124D-02  0.595721D+01  0.230560D+00 -0.103818D+01
      3  -0.179133D+02 -0.451236D+01  0.973661D+00 -0.184215D+01 -0.130600D+00
               186           187           188           189           190 
      1  -0.423689D+00  0.148271D+01  0.324481D+00  0.223566D+00 -0.104361D+01
      2   0.545529D+00  0.214808D+01 -0.361778D+00  0.156176D+00 -0.129070D+01
      3   0.113667D+01  0.156720D+01  0.194966D+01 -0.106472D+01  0.406668D+01
               191           192           193           194           195 
      1  -0.472992D+00 -0.172650D+01 -0.445701D+00 -0.547192D+01 -0.573453D+01
      2   0.698152D-01 -0.551824D+00 -0.442656D+00 -0.332295D+01 -0.303621D+01
      3   0.468365D+01  0.166196D+01  0.539020D+01  0.232826D+02  0.516444D+01
               196           197           198 
      1  -0.377083D+00 -0.227234D+01 -0.183120D+01
      2  -0.134496D+01 -0.283691D+01 -0.117838D+01
      3   0.226437D+01  0.684971D+01  0.434436D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.180858D+01 -0.218069D+02 -0.145481D+01  0.269087D+02  0.544820D+01
      2  -0.601519D+01  0.158315D+02  0.755260D-01 -0.267033D+02 -0.111648D+02
      3   0.420661D+01  0.597542D+01  0.137928D+01 -0.205393D+00  0.571656D+01
      4  -0.210790D+02  0.445796D+01  0.479323D+01  0.470790D+01 -0.155957D+02
      5   0.124014D+01  0.542045D+01  0.651005D+01 -0.929521D+00 -0.266787D+01
      6   0.463801D+01  0.247172D+01  0.661129D+01 -0.300951D+01  0.689408D+00
                 6             7             8             9            10 
      1  -0.165196D+00  0.656744D+01  0.605613D+01  0.275001D+01 -0.120109D+02
      2   0.111725D+01 -0.465455D+01 -0.496080D+01 -0.816516D+01  0.754560D+01
      3  -0.952057D+00 -0.191289D+01 -0.109533D+01  0.541514D+01  0.446526D+01
      4  -0.362457D+01  0.471669D+01 -0.271230D+01  0.169863D+02  0.592019D+01
      5   0.105126D+02  0.229292D+02  0.189484D+02  0.163351D+01  0.958292D+01
      6   0.422899D+01  0.113441D+02  0.144847D+02 -0.247059D+01 -0.477165D+00
                11            12            13            14            15 
      1   0.314059D+01  0.646874D+01 -0.116931D+02 -0.242919D+02 -0.233652D+01
      2  -0.124557D+01 -0.395133D+01  0.977106D+01  0.233994D+02  0.309967D+01
      3  -0.189502D+01 -0.251741D+01  0.192207D+01  0.892513D+00 -0.763155D+00
      4   0.229752D+02 -0.506470D+00 -0.247508D+02  0.794089D+01  0.332454D+01
      5  -0.108104D+01  0.137813D+02 -0.522781D+01  0.265822D+01 -0.195174D+01
      6  -0.140068D+01 -0.122968D+01  0.295037D+01 -0.103248D+01 -0.334699D+01
                16            17            18            19            20 
      1   0.107521D+02 -0.380059D+01  0.158505D+02  0.137160D+02  0.207903D+02
      2  -0.410982D+01  0.267943D+01 -0.207690D+02 -0.137040D+02 -0.146678D+02
      3  -0.664231D+01  0.112116D+01  0.491847D+01 -0.120143D-01 -0.612251D+01
      4  -0.616991D+01 -0.965739D+00 -0.176657D+01  0.973618D+01 -0.129073D+02
      5   0.367509D+02 -0.366273D+01 -0.558247D+01  0.135816D+01 -0.443599D+01
      6  -0.302316D+00  0.335686D+01 -0.123808D+01 -0.246284D+01  0.552376D+01
                21            22            23            24            25 
      1  -0.784178D+00 -0.223587D+02  0.135249D+02  0.191930D+01  0.289555D+00
      2   0.612478D+00  0.205203D+02 -0.215803D+02 -0.400617D+01  0.226068D+01
      3   0.171700D+00  0.183841D+01  0.805536D+01  0.208687D+01 -0.255023D+01
      4  -0.394124D+01  0.756080D+01  0.567141D+01  0.205472D+01 -0.451734D+01
      5  -0.147503D+01 -0.282937D+00  0.247809D+01 -0.899972D+01  0.112349D+02
      6  -0.744242D+00  0.145422D+01 -0.508847D+01  0.487358D+01 -0.831607D+01
                26            27            28            29            30 
      1  -0.232263D+01 -0.390308D+01 -0.993569D+01 -0.270027D+02 -0.288171D+00
      2  -0.275287D+01 -0.432042D+01  0.892846D+01  0.212137D+02 -0.158666D+01
      3   0.507550D+01  0.822349D+01  0.100723D+01  0.578899D+01  0.187483D+01
      4   0.660422D+01 -0.173263D+02 -0.781351D+01 -0.786153D+01 -0.622254D+00
      5  -0.168149D+02 -0.213436D+01 -0.120877D+01 -0.152024D+00 -0.864456D-01
      6   0.141049D+02  0.225590D+01 -0.831011D+00 -0.381951D+01  0.178218D+01
                31            32            33            34            35 
      1  -0.116037D+02 -0.115816D+02 -0.198832D+00  0.149303D+01  0.733869D+00
      2   0.566158D+00  0.110984D+02  0.529015D+00 -0.286892D+01 -0.924942D+00
      3   0.110376D+02  0.483188D+00 -0.330183D+00  0.137589D+01  0.191073D+00
      4   0.642127D+01 -0.780915D+01 -0.211299D+01 -0.135973D+01  0.185135D+01
      5  -0.315911D+01 -0.218559D+01  0.103347D+00  0.143094D+01 -0.236592D+01
      6  -0.775187D+01 -0.213017D+01  0.331759D+01  0.296712D+01  0.947182D+01
                36            37            38            39            40 
      1  -0.123114D+02 -0.233964D+02  0.467990D+01 -0.666880D+00 -0.225866D+01
      2   0.176041D+01  0.737295D+01 -0.982342D+00  0.517828D+00  0.501377D+01
      3   0.105510D+02  0.160234D+02 -0.369756D+01  0.149052D+00 -0.275512D+01
      4  -0.805944D+00 -0.726664D+01  0.834554D+01  0.955357D+00 -0.991846D+01
      5   0.183097D+01 -0.848436D+01 -0.158104D+00  0.218038D+01  0.638626D+00
      6  -0.873926D+00  0.633036D+00 -0.194111D+01 -0.124507D+01  0.535606D+01
                41            42            43            44            45 
      1  -0.138457D+01  0.372826D+00  0.422431D+01 -0.212757D+01 -0.867748D+01
      2   0.876194D+01  0.112347D+01 -0.778384D+00  0.275277D+01 -0.374994D+01
      3  -0.737737D+01 -0.149630D+01 -0.344593D+01 -0.625203D+00  0.124274D+02
      4   0.608662D+01  0.325274D+01 -0.149117D+01  0.339039D+01 -0.177083D+01
      5   0.221938D+01 -0.138383D+00  0.308426D+01  0.101656D+01  0.170319D+00
      6   0.132056D+01 -0.369054D+00 -0.121364D+01  0.333938D+01  0.139204D+00
                46            47            48            49            50 
      1   0.552681D+01  0.759934D+01 -0.991979D+00  0.264577D+01  0.863623D+01
      2  -0.384373D+01 -0.863142D+01  0.108109D+01  0.637070D+01 -0.156040D+02
      3  -0.168308D+01  0.103208D+01 -0.891079D-01 -0.901646D+01  0.696773D+01
      4   0.112006D+02 -0.193571D+02 -0.171768D+01  0.160573D+02  0.122626D+02
      5   0.729300D+00 -0.184625D+01 -0.382742D+01  0.165643D+01  0.667536D+00
      6  -0.354190D+01  0.244330D+01 -0.486112D+01  0.429677D+00 -0.498502D+01
                51            52            53            54            55 
      1   0.223277D+01 -0.147294D+01  0.625464D+00 -0.168826D+02  0.177658D+02
      2  -0.362628D+01  0.272495D+01 -0.428664D+01  0.580377D+01 -0.426872D+01
      3   0.139350D+01 -0.125201D+01  0.366117D+01  0.110788D+02 -0.134971D+02
      4   0.189483D+00  0.275562D+01  0.474981D+01  0.653247D+01  0.117635D+02
      5   0.141094D+01  0.992568D+00  0.685307D+01  0.490398D+01  0.609030D+01
      6   0.612443D+01 -0.308024D+01  0.189237D+02  0.511052D+01 -0.494684D+00
                56            57            58            59            60 
      1   0.967305D+00 -0.104923D+01  0.497880D+01 -0.807261D+01  0.136419D+01
      2   0.175473D+01 -0.405536D+01 -0.368831D+00  0.723813D+00  0.100112D+01
      3  -0.272203D+01  0.510459D+01 -0.460997D+01  0.734880D+01 -0.236531D+01
      4  -0.114444D+02 -0.310094D-01 -0.222846D+02 -0.652471D+01 -0.764147D+01
      5   0.101743D+01 -0.959118D+01  0.181850D+01 -0.761791D+01  0.337394D+01
      6  -0.351648D+01  0.307032D+01 -0.594337D+01  0.289440D+01 -0.216512D+01
                61            62            63            64            65 
      1  -0.113120D+02  0.224379D+01  0.426411D+01 -0.176773D+02 -0.182679D+02
      2  -0.119004D+02  0.345858D+01  0.123237D+02  0.294875D+01  0.967891D+01
      3   0.232125D+02 -0.570237D+01 -0.165878D+02  0.147286D+02  0.858897D+01
      4   0.117884D+00 -0.120073D+02  0.540525D+01 -0.232375D+02 -0.697484D+01
      5  -0.176598D+02  0.331717D+01  0.368628D+02  0.151062D+02  0.558774D+01
      6   0.621194D+01 -0.334072D+00 -0.866374D+01  0.657192D+01  0.329454D+01
                66            67            68            69            70 
      1   0.907619D+01 -0.200463D+02  0.715457D+00  0.175282D+01  0.150482D+02
      2  -0.146981D+01  0.106866D+02  0.196462D+01  0.746903D+00  0.700836D-01
      3  -0.760638D+01  0.935969D+01 -0.268008D+01 -0.249972D+01 -0.151183D+02
      4   0.662762D+01 -0.370439D+01  0.123607D+02  0.693334D+01  0.137194D+02
      5  -0.839800D+01  0.667305D+01  0.573379D+01  0.866645D+00 -0.144617D+02
      6  -0.363410D+01  0.447930D+01  0.591518D+01  0.183086D+01 -0.694470D+01
                71            72            73            74            75 
      1   0.741160D+01 -0.911125D+01 -0.467708D+01  0.118388D+02 -0.438906D+01
      2  -0.243657D+01  0.160412D+02  0.785858D+01 -0.696351D+01  0.452573D+01
      3  -0.497502D+01 -0.692998D+01 -0.318150D+01 -0.487526D+01 -0.136668D+00
      4   0.906471D+01 -0.695239D+01  0.428357D+01  0.449562D+01  0.961263D-01
      5  -0.255745D+01 -0.273720D+02 -0.147762D+01  0.910355D+00 -0.109246D+01
      6   0.321332D+01 -0.995456D+01  0.143165D+01  0.654972D+01 -0.433117D+00
                76            77            78            79            80 
      1   0.246450D+02  0.318969D+02  0.117794D+00 -0.102866D+02 -0.305076D+01
      2  -0.192881D+02 -0.337028D+02 -0.771213D+01  0.702310D+01 -0.765980D+01
      3  -0.535683D+01  0.180591D+01  0.759434D+01  0.326345D+01  0.107106D+02
      4   0.110742D+01 -0.680653D+01  0.308990D+00  0.813000D+00  0.316252D+01
      5   0.242883D+01  0.118514D+01 -0.649341D+01 -0.209976D+01 -0.101024D+02
      6   0.546904D+01 -0.542207D+01 -0.218308D+02 -0.117021D+02 -0.409956D+02
                81            82            83            84            85 
      1   0.284284D+02  0.257345D+02  0.161391D+02 -0.276537D+00  0.101316D+02
      2  -0.269159D+02 -0.465650D+01  0.817241D+00  0.735498D-01  0.805303D+01
      3  -0.151249D+01 -0.210780D+02 -0.169564D+02  0.202988D+00 -0.181846D+02
      4  -0.772721D+01  0.389733D+02  0.343784D+02 -0.112088D+01  0.383646D+02
      5   0.779683D+01 -0.363395D+00 -0.625793D+00  0.567782D+01  0.802349D+00
      6   0.167490D+02 -0.119988D+01 -0.118248D+01  0.322781D+01 -0.252978D+00
                86            87            88            89            90 
      1   0.461886D+01  0.211622D+00 -0.182999D+01 -0.128162D+01 -0.108948D+00
      2   0.178633D+02 -0.396630D+00  0.984508D+00  0.971692D+00  0.107702D+01
      3  -0.224821D+02  0.185008D+00  0.845485D+00  0.309928D+00 -0.968070D+00
      4   0.476858D+02 -0.445714D-01 -0.150906D+01 -0.565002D+00  0.253863D+01
      5   0.868652D+00  0.468551D+01  0.178223D+01  0.126326D+01 -0.358352D+00
      6  -0.655654D+00  0.524112D+01  0.142196D+01  0.229510D+01 -0.121247D+00
                91            92            93            94            95 
      1   0.102025D+03 -0.100525D+02 -0.906911D+01 -0.988685D+01  0.105900D+02
      2  -0.597002D+02  0.549635D+01  0.633263D+01  0.481190D+01 -0.537201D+01
      3  -0.423251D+02  0.455611D+01  0.273648D+01  0.507495D+01 -0.521795D+01
      4  -0.145273D+02  0.957236D+01  0.133181D+01  0.172248D+02 -0.493980D+01
      5  -0.131452D+02  0.132318D+01  0.109737D+02  0.234188D+01 -0.170169D+01
      6   0.184788D+00 -0.646202D+00 -0.664939D+00 -0.127773D+01  0.245320D+00
                96            97            98            99           100 
      1   0.139588D+01 -0.120536D+02  0.149911D+01  0.376891D+01  0.574168D+01
      2  -0.996273D+00  0.750378D+01 -0.824239D+00 -0.254895D+01  0.240794D+01
      3  -0.399602D+00  0.454978D+01 -0.674869D+00 -0.121996D+01 -0.814962D+01
      4  -0.180003D+01  0.278358D+01 -0.131995D+01 -0.116868D+01 -0.185441D+02
      5  -0.137608D+01  0.461481D+01 -0.467922D+00 -0.247408D+01 -0.205689D+01
      6   0.177669D+01 -0.493804D+00  0.938756D+00  0.416087D+00  0.185753D+01
               101           102           103           104           105 
      1  -0.475617D+01 -0.534965D+00  0.219684D+00 -0.146529D+02 -0.163076D+01
      2  -0.407179D+01 -0.360941D-01 -0.104783D+02  0.352755D+02  0.251801D+01
      3   0.882795D+01  0.571059D+00  0.102586D+02 -0.206226D+02 -0.887248D+00
      4   0.220994D+02  0.278517D+01  0.253592D+02 -0.477179D+02 -0.476138D+01
      5   0.239671D+01  0.356813D+01  0.228524D+01 -0.359691D+01 -0.465241D+01
      6  -0.221937D+01 -0.239542D+01 -0.262704D+01  0.647848D+01  0.713179D+01
               106           107           108           109           110 
      1  -0.687734D+00 -0.950478D+00 -0.189196D+01 -0.438748D+01  0.781768D+01
      2  -0.794259D+00  0.294137D+01  0.254937D+01  0.652209D+01 -0.970539D+01
      3   0.148199D+01 -0.199089D+01 -0.657414D+00 -0.213461D+01  0.188771D+01
      4   0.418820D+01 -0.589693D+01 -0.211508D+01 -0.358970D+01  0.786974D+01
      5   0.150420D+01 -0.146606D+01 -0.973861D+00  0.392452D+00  0.142524D-01
      6  -0.161091D+01  0.378245D+01  0.144537D+01  0.123211D+01 -0.229051D+01
               111           112           113           114           115 
      1   0.151694D+01  0.631112D+01 -0.374838D+02 -0.411959D+01  0.117889D+01
      2  -0.110944D+01 -0.827116D+01  0.523765D+02  0.419760D+01 -0.151395D+01
      3  -0.407506D+00  0.196004D+01 -0.148927D+02 -0.780138D-01  0.335063D+00
      4   0.336244D+00  0.600643D+01  0.302618D+01  0.553009D+00  0.270535D+00
      5   0.952101D+00 -0.479454D-01  0.184872D+01  0.634232D+00  0.603453D+00
      6  -0.154235D+01 -0.117357D+01  0.781690D+01  0.734111D+01 -0.354406D+00
               116           117           118           119           120 
      1  -0.366240D+01 -0.179287D+01  0.517861D+01 -0.812309D+00 -0.414131D+01
      2   0.442225D+01  0.195162D+01 -0.847045D+01  0.228011D+00  0.613230D+01
      3  -0.759846D+00 -0.158751D+00  0.329184D+01  0.584298D+00 -0.199099D+01
      4  -0.556908D+00 -0.138977D+01 -0.439971D+01  0.710465D+01  0.179521D+01
      5  -0.555169D+00 -0.506880D+00 -0.115863D+02  0.120587D+01  0.148784D+02
      6   0.320337D+01  0.153004D+01  0.208815D+01  0.404346D-01 -0.163723D+01
               121           122           123           124           125 
      1  -0.350867D+00 -0.165009D+01 -0.354073D+00 -0.154463D+01 -0.101572D+01
      2  -0.646058D+00 -0.695512D+00  0.258424D+00  0.139998D+02 -0.126906D+01
      3   0.996925D+00  0.234560D+01  0.956490D-01 -0.124551D+02  0.228479D+01
      4   0.103428D+02 -0.308705D+01 -0.424025D+01  0.496747D+01 -0.598807D+01
      5   0.379426D+00 -0.417282D+01 -0.144225D+01  0.241696D+02 -0.388694D+01
      6  -0.175797D+01  0.111925D+01  0.767641D+01 -0.433118D+01  0.523600D+01
               126           127           128           129           130 
      1  -0.128087D+02 -0.609032D+02  0.958576D+01  0.424094D+01 -0.292708D+01
      2  -0.229339D+02  0.345371D+02 -0.132254D+02 -0.455615D+01 -0.429664D+01
      3   0.357426D+02  0.263661D+02  0.363967D+01  0.315214D+00  0.722372D+01
      4  -0.394603D+01  0.143772D+02  0.137751D+02 -0.330717D+01  0.213934D+02
      5  -0.397530D+02  0.490779D+01 -0.137769D+01  0.816371D+01 -0.392289D+01
      6   0.930645D+01 -0.660004D+01  0.246200D+01 -0.564463D+01  0.433813D+01
               131           132           133           134           135 
      1   0.239390D+02  0.535116D+01  0.999604D+01  0.300586D+01  0.159372D+02
      2  -0.271730D+02 -0.113078D+02 -0.172892D+01 -0.126050D+02  0.113712D+00
      3   0.323398D+01  0.595661D+01 -0.826712D+01  0.959913D+01 -0.160509D+02
      4   0.436376D+01  0.124639D+02 -0.965852D+01  0.145153D+02 -0.237950D+01
      5   0.148376D+02  0.514942D+00  0.703405D+01  0.208200D+01 -0.263456D+02
      6  -0.132268D+02 -0.101105D+00 -0.408874D+01 -0.163570D+01  0.177114D+02
               136           137           138           139           140 
      1   0.500005D+02  0.144350D+02 -0.945923D+01  0.110937D+02  0.586459D+01
      2  -0.224723D+02 -0.349017D+01  0.425673D+01 -0.120306D+01  0.274149D+01
      3  -0.275281D+02 -0.109449D+02  0.520251D+01 -0.989062D+01 -0.860608D+01
      4   0.353905D+02  0.203059D+02 -0.687543D+01  0.203882D+02  0.140520D+02
      5  -0.142548D+02 -0.461273D+01  0.106786D+02 -0.432972D+01 -0.514070D+01
      6  -0.593119D+01 -0.308154D+01  0.442661D+01 -0.320990D+01 -0.323758D+01
               141           142           143           144           145 
      1  -0.151732D+01 -0.153951D+02 -0.317386D+01  0.716259D+01  0.715311D+01
      2  -0.680709D+00  0.803290D+01  0.614346D-01 -0.605391D+01 -0.627723D+01
      3   0.219803D+01  0.736224D+01  0.311243D+01 -0.110868D+01 -0.875881D+00
      4  -0.562370D+01 -0.124647D+02 -0.953071D+01  0.806418D+01  0.553759D+01
      5   0.342004D+01  0.154504D+02  0.587891D+01 -0.697096D+01  0.804475D+01
      6   0.318091D+01  0.712786D+01  0.399396D+01 -0.346529D+01  0.239275D+01
               146           147           148           149           150 
      1   0.355505D+01  0.475386D+01  0.394817D+00 -0.107793D+01 -0.157797D+01
      2  -0.204277D+01 -0.490739D+01  0.136231D+01 -0.120675D+01  0.232800D+01
      3  -0.151228D+01  0.153526D+00 -0.175713D+01  0.228468D+01 -0.750032D+00
      4   0.275850D+01  0.231309D+01  0.392540D+01 -0.857762D+00  0.370369D+01
      5   0.667794D+00  0.955614D+01 -0.135383D+01  0.356008D+01 -0.207842D+01
      6   0.104204D+01  0.192240D+01  0.124404D+01  0.103513D+01  0.478042D+01
               151           152           153           154           155 
      1   0.800604D+01 -0.224658D+01 -0.151792D+01  0.430225D+00  0.510837D+00
      2  -0.114841D+02  0.171215D+01 -0.188513D+02 -0.108448D+01 -0.233305D+00
      3   0.347804D+01  0.534423D+00  0.203692D+02  0.654254D+00 -0.277533D+00
      4   0.475239D+01  0.766574D+01  0.698969D+01  0.344107D+01  0.706371D+01
      5   0.185044D+02  0.362253D+01  0.348220D+02 -0.239148D+01 -0.377189D+01
      6   0.648169D+01  0.475303D+01  0.153675D+02 -0.630035D+01 -0.199302D+01
               156           157           158           159           160 
      1  -0.523950D+00 -0.573301D+01 -0.244892D+02  0.117824D+02  0.501590D+01
      2  -0.571977D-01  0.690703D+01  0.278515D+02 -0.108345D+02 -0.359930D+01
      3   0.581148D+00 -0.117401D+01 -0.336230D+01 -0.947938D+00 -0.141661D+01
      4  -0.539128D+01  0.562467D+01  0.879986D+01 -0.437861D+01 -0.971493D+01
      5   0.595524D+01 -0.229087D+01 -0.501691D+01  0.434609D+01  0.723388D+01
      6   0.166964D+01 -0.466222D+01 -0.187221D+02  0.181064D+02  0.101518D+02
               161           162           163           164           165 
      1   0.238131D+02 -0.262716D+02 -0.357691D+00  0.418010D+01  0.236055D+01
      2  -0.188422D+02  0.129001D+02  0.241340D+01 -0.474273D+01 -0.188747D+01
      3  -0.497087D+01  0.133715D+02 -0.205571D+01  0.562633D+00 -0.473073D+00
      4  -0.971602D+01  0.744025D+01  0.113405D+01  0.751837D+01  0.363123D+01
      5   0.993823D+01 -0.113452D+02  0.108299D+01  0.179107D+01  0.236191D+01
      6   0.337744D+02 -0.351304D+02  0.460225D+01 -0.144062D+01 -0.863464D+00
               166           167           168           169           170 
      1  -0.346145D+01 -0.365243D+02 -0.112160D+02  0.217647D+00 -0.195973D+02
      2   0.521646D+01  0.524985D+02  0.160494D+02  0.152451D+01  0.256365D+02
      3  -0.175500D+01 -0.159742D+02 -0.483338D+01 -0.174215D+01 -0.603921D+01
      4   0.684599D+01  0.105202D+02  0.310100D+01  0.520730D+01  0.545915D+01
      5   0.171180D+01  0.370627D+01  0.319915D+01  0.352116D+01  0.533388D+01
      6   0.206140D+01  0.220196D+02  0.159507D+02  0.433540D+01  0.257415D+02
               171           172           173           174           175 
      1  -0.162435D+02  0.377682D+01 -0.269642D+01  0.584353D+01  0.108805D+01
      2   0.149888D+02 -0.393776D+01  0.302860D+01 -0.109720D+01 -0.957798D+00
      3   0.125468D+01  0.160944D+00 -0.332182D+00 -0.474633D+01 -0.130253D+00
      4   0.423571D+01 -0.437906D+00 -0.202384D+01 -0.175980D+01 -0.737796D+00
      5   0.219582D+01  0.217543D+01  0.114666D+00 -0.387268D+00  0.696632D+00
      6   0.149370D+02 -0.163203D+01 -0.166211D+01  0.355620D+01  0.225790D-01
               176           177           178           179           180 
      1  -0.597475D+01  0.229054D+01  0.640906D+01  0.374136D+01 -0.179886D+02
      2   0.427482D+01 -0.247194D+01 -0.376176D+01 -0.259602D+01 -0.924687D+01
      3   0.169993D+01  0.181400D+00 -0.264730D+01 -0.114534D+01  0.272355D+02
      4  -0.126799D+01  0.238588D+01 -0.679973D+01  0.752730D+01 -0.330026D+01
      5   0.197329D+01 -0.382079D+00  0.774212D+01 -0.636804D+01  0.326810D+02
      6  -0.219317D+01  0.606733D+01 -0.221462D+01  0.916549D+01 -0.256262D+02
               181           182           183           184           185 
      1   0.875482D+02 -0.878437D+01 -0.340566D+01  0.596374D+01  0.414297D+01
      2  -0.450104D+02  0.114451D+01  0.139669D+01 -0.600638D+01  0.571862D+00
      3  -0.425378D+02  0.763987D+01  0.200898D+01  0.426436D-01 -0.471484D+01
      4  -0.371803D+02  0.161235D+02  0.722834D+00  0.814757D+01 -0.353212D+01
      5   0.203407D+01 -0.568519D+00  0.100716D+02  0.590017D+00 -0.163935D+01
      6   0.173579D+01  0.802941D+00 -0.391727D+01  0.249449D+00  0.120866D+01
               186           187           188           189           190 
      1  -0.784142D+00 -0.774380D+01 -0.294971D+00  0.608422D+01  0.263069D+01
      2   0.130953D+01  0.413004D+01  0.207618D+01 -0.507510D+01  0.106055D+01
      3  -0.525388D+00  0.361376D+01 -0.178121D+01 -0.100911D+01 -0.369125D+01
      4  -0.179089D+01  0.422853D+01 -0.387533D+01 -0.301081D+01 -0.165831D+01
      5   0.933804D+00  0.115944D+02 -0.182129D+01 -0.540370D+00 -0.156578D+01
      6   0.669653D+00 -0.348220D+01  0.185247D+01 -0.624638D+00  0.210310D+01
               191           192           193           194           195 
      1  -0.836211D+01 -0.227906D+01 -0.541026D+01 -0.275504D+02 -0.589058D+01
      2   0.945944D+01  0.223626D+01  0.163875D+01  0.478114D+02  0.975334D+01
      3  -0.109733D+01  0.428041D-01  0.377150D+01 -0.202609D+02 -0.386276D+01
      4  -0.239683D+00  0.138480D+01  0.868665D+01 -0.326074D+02 -0.604288D+01
      5  -0.319975D+00 -0.125346D+01 -0.478146D+00 -0.799700D+01 -0.648676D+01
      6   0.563176D+00  0.254618D+01 -0.178157D+00  0.745015D+01  0.871301D+01
               196           197           198 
      1  -0.434525D+01 -0.660550D+01 -0.753465D+01
      2   0.146679D+01  0.114461D+02  0.632218D+01
      3   0.287845D+01 -0.484064D+01  0.121248D+01
      4   0.516447D+01 -0.108563D+02 -0.453312D+01
      5   0.812074D+00 -0.616128D+01 -0.233002D+01
      6   0.116945D+00  0.936948D+01  0.469962D+01
 Leave Link  716 at Fri Jul 16 13:35:54 2021, MaxMem=  5637144576 cpu:               5.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146768D+03  0.202385D+01 -0.379004D+01
      2   0.202385D+01  0.128035D+03  0.149951D+01
      3  -0.379004D+01  0.149951D+01  0.791978D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.453658D+00  0.120819D+01  0.143565D+01
      2   0.106553D+02 -0.608959D+01  0.149777D+02
      3   0.628571D+00  0.333771D+02  0.545360D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.765727D+02 -0.170988D+02  0.151164D+02
      2   0.387886D+02  0.283058D+01 -0.141082D+02
      3   0.377841D+02  0.142682D+02 -0.100822D+01
      4  -0.284119D+02 -0.317477D+02 -0.111846D+02
      5   0.150624D+02 -0.144756D+02  0.376322D+02
      6  -0.802208D+01 -0.170495D+01  0.185948D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.761342D+00 -0.108044D+01 -0.740073D+00 -0.534433D+01  0.882636D-02
      2  -0.108044D+01 -0.229805D+01 -0.645010D+00  0.882636D-02 -0.219039D+01
      3  -0.740073D+00 -0.645010D+00 -0.115779D+01  0.710506D+00  0.437542D+00
                 6             7             8             9            10 
      1   0.710506D+00 -0.132849D+01 -0.833860D-01 -0.359480D+01 -0.484104D+01
      2   0.437542D+00 -0.833860D-01  0.454460D+00 -0.380266D+01  0.809941D+00
      3  -0.202057D+01 -0.359480D+01 -0.380266D+01  0.149232D+00 -0.506413D+00
                11            12            13            14            15 
      1   0.809941D+00 -0.506413D+00  0.170550D+01  0.238384D+01  0.195607D+00
      2  -0.258879D+01 -0.787317D-01  0.238384D+01  0.236953D+01 -0.389518D+00
      3  -0.787317D-01 -0.202374D+01  0.195607D+00 -0.389518D+00  0.610908D+00
                16            17            18            19            20 
      1  -0.687068D+00  0.591527D+00 -0.535900D+01  0.112122D+01 -0.336686D+01
      2   0.591527D+00  0.277929D+00  0.695659D+00 -0.336686D+01 -0.379007D+01
      3  -0.535900D+01  0.695659D+00  0.129418D+01 -0.266133D+00  0.614679D+00
                21            22            23            24            25 
      1  -0.266133D+00  0.512871D+01 -0.348050D+00 -0.124799D+00  0.320247D+00
      2   0.614679D+00 -0.348050D+00  0.291047D+00 -0.430770D+00  0.100253D+01
      3  -0.435434D+00 -0.124799D+00 -0.430770D+00  0.179887D+01 -0.250706D+01
                26            27            28            29            30 
      1   0.100253D+01 -0.250706D+01  0.853452D+00  0.333871D+01 -0.318431D+00
      2  -0.550070D+00  0.358483D+01  0.333871D+01  0.735097D+01 -0.198268D+00
      3   0.358483D+01  0.132699D+01 -0.318431D+00 -0.198268D+00  0.125248D+01
                31            32            33            34            35 
      1   0.125962D+02  0.452080D+01 -0.110229D+01  0.174880D+01 -0.406259D+00
      2   0.452080D+01  0.717578D+01 -0.544970D+00 -0.406259D+00 -0.233746D+00
      3  -0.110229D+01 -0.544970D+00  0.134369D+01  0.169038D+01  0.291636D+01
                36            37            38            39            40 
      1   0.169038D+01  0.166985D+02 -0.201574D+01 -0.217362D+01 -0.614333D+01
      2   0.291636D+01 -0.201574D+01  0.387409D+01  0.107851D+00 -0.333782D+01
      3   0.978971D-01 -0.217362D+01  0.107851D+00  0.188932D+01 -0.269607D-01
                41            42            43            44            45 
      1  -0.333782D+01 -0.269607D-01 -0.164156D+01 -0.419475D+00  0.321011D+01
      2  -0.963497D+00  0.574265D+00 -0.419475D+00  0.355237D+00 -0.756646D+00
      3   0.574265D+00  0.160180D+00  0.321011D+01 -0.756646D+00 -0.130387D+01
                46            47            48            49            50 
      1  -0.228478D+01  0.354038D+01  0.309783D+00 -0.607086D+01  0.763498D+00
      2   0.354038D+01  0.213881D+01 -0.403960D+00  0.763498D+00 -0.169984D+01
      3   0.309783D+00 -0.403960D+00  0.564621D+00  0.247901D+00  0.391460D+00
                51            52            53            54            55 
      1   0.247901D+00  0.141613D+00 -0.461824D+00  0.465316D+00 -0.538879D+01
      2   0.391460D+00 -0.461824D+00  0.101071D+00 -0.415546D+01  0.265600D+01
      3  -0.186059D+01  0.465316D+00 -0.415546D+01 -0.123342D+01  0.142888D+01
                56            57            58            59            60 
      1   0.265600D+01  0.142888D+01  0.325667D+01 -0.341406D+01  0.251502D+00
      2  -0.236468D+01  0.155112D+00 -0.341406D+01 -0.214296D+01 -0.154664D+01
      3   0.155112D+00 -0.208167D+01  0.251502D+00 -0.154664D+01  0.649363D+00
                61            62            63            64            65 
      1   0.398605D+01  0.741300D-01 -0.367159D+01 -0.466932D+01 -0.390159D+01
      2   0.741300D-01 -0.213366D+01  0.406350D+00 -0.390159D+01  0.108066D+01
      3  -0.367159D+01  0.406350D+00  0.874414D+01  0.219220D+01  0.727940D+00
                66            67            68            69            70 
      1   0.219220D+01 -0.384613D+01  0.661092D+00  0.910189D+00  0.371646D+01
      2   0.727940D+00  0.661092D+00  0.264472D+01  0.136939D+01  0.177644D+01
      3  -0.156088D+01  0.910189D+00  0.136939D+01  0.380305D+00 -0.256798D+01
                71            72            73            74            75 
      1   0.177644D+01 -0.256798D+01 -0.249653D+01  0.489637D+00 -0.978248D-01
      2   0.152582D+01  0.122969D+00  0.489637D+00 -0.261453D+01  0.970307D+00
      3   0.122969D+00 -0.623746D+01 -0.978248D-01  0.970307D+00 -0.124442D+00
                76            77            78            79            80 
      1  -0.398935D+00 -0.438759D+01  0.104752D+01  0.831169D+00  0.205094D+01
      2  -0.438759D+01 -0.889862D+01 -0.447948D+00  0.205094D+01  0.361992D+00
      3   0.104752D+01 -0.447948D+00 -0.372914D+01 -0.158501D+01 -0.629862D+01
                81            82            83            84            85 
      1  -0.158501D+01 -0.581845D+01 -0.437667D+01  0.190710D+00 -0.419548D+01
      2  -0.629862D+01 -0.437667D+01 -0.377956D+01  0.173492D+00 -0.489143D+01
      3   0.347672D+01  0.190710D+00  0.173492D+00 -0.564434D+00 -0.412990D-01
                86            87            88            89            90 
      1  -0.489143D+01 -0.412990D-01  0.323159D+00  0.159022D+00 -0.305288D-01
      2  -0.683185D+01  0.884234D-02  0.159022D+00 -0.917252D-02 -0.613064D-01
      3   0.884234D-02 -0.661830D+00 -0.305288D-01 -0.613064D-01 -0.820183D-02
                91            92            93            94            95 
      1  -0.136750D+02  0.139878D+01  0.143694D+01  0.154207D+01 -0.182388D+01
      2   0.139878D+01 -0.860498D+00 -0.157014D+00 -0.182388D+01  0.562293D+00
      3   0.143694D+01 -0.157014D+00 -0.101842D+01 -0.283779D+00  0.204532D+00
                96            97            98            99           100 
      1  -0.283779D+00  0.170130D+01 -0.302536D+00 -0.212958D+00 -0.230661D+01
      2   0.204532D+00 -0.302536D+00  0.190945D+00  0.702749D-01  0.253725D+01
      3   0.171896D+00 -0.212958D+00  0.702749D-01  0.158198D+00  0.363143D+00
               101           102           103           104           105 
      1   0.253725D+01  0.363143D+00  0.246665D+01 -0.383477D+01 -0.404390D+00
      2  -0.274931D+01 -0.403184D+00 -0.383477D+01  0.934344D+01  0.978618D+00
      3  -0.403184D+00 -0.423711D+00 -0.404390D+00  0.978618D+00  0.930717D+00
               106           107           108           109           110 
      1   0.353795D+00 -0.559842D+00 -0.167453D+00  0.134198D+01 -0.169920D+01
      2  -0.559842D+00  0.114173D+01  0.277766D+00 -0.169920D+01  0.199475D+01
      3  -0.167453D+00  0.277766D+00  0.119558D+00 -0.139615D+00  0.302992D+00
               111           112           113           114           115 
      1  -0.139615D+00 -0.134187D+01  0.171385D+01  0.129644D+00 -0.192874D+00
      2   0.302992D+00  0.171385D+01 -0.956967D+01 -0.963622D+00  0.268088D+00
      3   0.203639D+00  0.129644D+00 -0.963622D+00 -0.864060D+00 -0.528153D-01
               116           117           118           119           120 
      1   0.268088D+00 -0.528153D-01  0.323926D+01 -0.682728D+00 -0.210847D+01
      2  -0.929544D+00 -0.149208D+00 -0.682728D+00  0.765758D+00  0.127772D+00
      3  -0.149208D+00 -0.172119D+00 -0.210847D+01  0.127772D+00  0.189519D+01
               121           122           123           124           125 
      1  -0.112986D+01  0.168200D+01  0.114419D+00 -0.618577D+01  0.617038D+00
      2   0.168200D+01 -0.411432D+00 -0.101104D+01  0.617038D+00 -0.122489D+01
      3   0.114419D+00 -0.101104D+01 -0.357510D+00  0.412970D+01 -0.738685D+00
               126           127           128           129           130 
      1   0.412970D+01 -0.795324D+01 -0.673143D+00  0.134350D+01 -0.410903D+01
      2  -0.738685D+00 -0.673143D+00  0.294417D+01 -0.329453D+00  0.316462D+01
      3  -0.956889D+01  0.134350D+01 -0.329453D+00  0.164483D+01 -0.489240D+00
               131           132           133           134           135 
      1   0.316462D+01 -0.489240D+00  0.219145D+01 -0.114682D+01  0.102270D+01
      2   0.300757D+01  0.270930D+01 -0.114682D+01  0.316284D+01  0.789114D+00
      3   0.270930D+01  0.174641D+00  0.102270D+01  0.789114D+00 -0.634052D+01
               136           137           138           139           140 
      1   0.945332D+01  0.339170D+01 -0.182813D+01  0.294220D+01  0.222282D+01
      2   0.339170D+01  0.200288D+01 -0.652872D+00  0.222282D+01  0.169399D+01
      3  -0.182813D+01 -0.652872D+00  0.136589D+01 -0.630856D+00 -0.785812D+00
               141           142           143           144           145 
      1  -0.630856D+00 -0.405220D+01 -0.141553D+01  0.218789D+01  0.163634D+01
      2  -0.785812D+00 -0.141553D+01 -0.133633D+01  0.871733D+00  0.581091D+00
      3   0.499166D+00  0.218789D+01  0.871733D+00 -0.753240D+00  0.132749D+01
               146           147           148           149           150 
      1   0.581091D+00  0.132749D+01  0.160152D+00  0.495927D+00 -0.174865D+00
      2   0.200217D-01  0.162332D+00  0.495927D+00 -0.141249D+00  0.707082D+00
      3   0.162332D+00  0.955434D+00 -0.174865D+00  0.707082D+00 -0.386390D+00
               151           152           153           154           155 
      1   0.218929D+01  0.328132D-01  0.299563D+01  0.126193D+01  0.925973D+00
      2   0.328132D-01  0.147718D+01  0.656855D+00  0.925973D+00  0.341842D+00
      3   0.299563D+01  0.656855D+00  0.736672D+01 -0.102548D+01 -0.357709D+00
               156           157           158           159           160 
      1  -0.102548D+01  0.107626D+01  0.197292D+01 -0.653511D+00 -0.307975D+01
      2  -0.357709D+00  0.197292D+01  0.583551D+01 -0.272147D+01 -0.233866D+01
      3   0.355729D+00 -0.653511D+00 -0.272147D+01  0.238817D+01  0.155696D+01
               161           162           163           164           165 
      1  -0.233866D+01  0.155696D+01 -0.312358D+00  0.671775D+00  0.731096D+00
      2  -0.559206D+01  0.512793D+01  0.671775D+00 -0.826407D+00 -0.200671D+00
      3   0.512793D+01 -0.634036D+01  0.731096D+00 -0.200671D+00 -0.144874D+00
               166           167           168           169           170 
      1   0.148804D+01  0.141277D+01  0.215424D+00  0.977936D+00  0.326641D+00
      2   0.141277D+01  0.910023D+01  0.275992D+01  0.326641D+00  0.474653D+01
      3   0.215424D+00  0.275992D+01  0.209480D+01  0.590820D+00  0.360342D+01
               171           172           173           174           175 
      1   0.590820D+00  0.186655D+00  0.856837D-01  0.640923D+00  0.714732D+00
      2   0.360342D+01  0.856837D-01 -0.753370D+00  0.238542D+00 -0.276759D+00
      3   0.207572D+01  0.640923D+00  0.238542D+00 -0.118814D+01  0.970094D-01
               176           177           178           179           180 
      1  -0.276759D+00  0.970094D-01  0.154403D+01 -0.587285D+00  0.719014D+00
      2  -0.553126D+00  0.644108D+00 -0.587285D+00  0.153246D+01 -0.143475D+01
      3   0.644108D+00 -0.730224D-01  0.719014D+00 -0.143475D+01  0.760678D+01
               181           182           183           184           185 
      1   0.129781D+02 -0.203371D+01 -0.276012D+00  0.802476D+00  0.852965D+00
      2  -0.203371D+01  0.145876D+01 -0.802484D-01  0.852965D+00 -0.417007D+00
      3  -0.276012D+00 -0.802484D-01  0.106495D+01  0.963922D-01 -0.363205D+00
               186           187           188           189           190 
      1   0.963922D-01 -0.167429D+01  0.361011D+00  0.124594D+01  0.214055D+00
      2  -0.363205D+00  0.361011D+00 -0.771967D+00 -0.266686D+00 -0.596834D+00
      3   0.132380D+00  0.124594D+01 -0.266686D+00  0.118197D+00 -0.484462D+00
               191           192           193           194           195 
      1  -0.596834D+00 -0.484462D+00 -0.129987D+01  0.458438D+00 -0.841223D-01
      2  -0.134744D+01 -0.738974D-01  0.458438D+00 -0.820447D+01 -0.158007D+01
      3  -0.738974D-01 -0.468534D+00 -0.841223D-01 -0.158007D+01 -0.138198D+01
               196           197           198 
      1  -0.118331D+01  0.461430D+00 -0.652593D-01
      2   0.461430D+00 -0.254675D+01 -0.145923D+01
      3  -0.652593D-01 -0.145923D+01 -0.576265D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.129479D+01 -0.156270D+00 -0.295716D+01  0.124444D+01  0.987848D-01
      2   0.591511D+00  0.111272D+01  0.266271D+01 -0.458351D+00 -0.425143D+00
      3  -0.757458D+01 -0.116190D+02 -0.212275D+00  0.845311D+01 -0.252749D+01
                 6             7             8             9            10 
      1  -0.133222D+01 -0.841169D+01  0.367846D+01  0.156961D+01  0.466972D+00
      2   0.478326D+01 -0.266781D+01  0.120411D+02  0.946862D+00 -0.126231D-01
      3  -0.932979D-01  0.801843D+00  0.188290D+01 -0.561657D+01  0.439423D+01
                11            12            13            14            15 
      1   0.599922D+00  0.457412D+00  0.113247D+01 -0.114358D+01  0.126711D+01
      2  -0.138652D+00  0.638242D+01 -0.218682D+01 -0.411737D+00 -0.807419D+00
      3  -0.828811D+01 -0.231502D+00  0.127465D+02  0.397419D+01 -0.153983D+01
                16            17            18            19            20 
      1   0.226715D+01  0.123997D+02  0.842980D+00  0.121227D+01 -0.970235D+00
      2   0.874615D+01 -0.336436D+01 -0.261879D+01  0.573190D+00 -0.981463D-01
      3   0.145700D+01 -0.218507D+00  0.249101D+01 -0.291985D+01 -0.161538D+02
                21            22            23            24            25 
      1  -0.288435D+00 -0.107463D+01  0.298871D+00 -0.179012D+01  0.435560D+01
      2  -0.135854D+00  0.120796D+01  0.163689D+01 -0.454449D+01 -0.956273D+01
      3  -0.608625D+00 -0.467223D+00  0.195193D+00 -0.380875D+00  0.570874D+00
                26            27            28            29            30 
      1   0.229138D+01 -0.797986D-01 -0.183021D+01  0.181749D+01 -0.491211D+00
      2  -0.106753D+02 -0.750624D+00 -0.303850D+01 -0.156397D+01 -0.484562D+00
      3   0.894238D+00  0.575036D+01 -0.372759D+01  0.539690D+01  0.159638D+01
                31            32            33            34            35 
      1   0.209003D+01  0.864404D+00 -0.132485D+01 -0.330065D+01  0.667267D+01
      2   0.168617D+01 -0.218371D+01 -0.113514D+01 -0.151430D+02 -0.120990D+01
      3   0.971573D+01  0.233675D+02 -0.131263D+01  0.347654D+01 -0.137973D+01
                36            37            38            39            40 
      1   0.314401D+00  0.706301D+00  0.168330D+01  0.970337D+00  0.238277D+01
      2   0.118604D+01 -0.189614D+01 -0.118845D+01 -0.283738D+00 -0.932876D+00
      3   0.363667D+01 -0.885455D+01  0.121772D+02  0.162059D+01  0.111594D+02
                41            42            43            44            45 
      1  -0.264793D+00 -0.701706D+00  0.392095D+01  0.104853D+02 -0.202485D+00
      2   0.482082D+00  0.459368D+00 -0.128779D+02  0.552195D+00  0.102787D+01
      3  -0.773222D+01 -0.153025D+01 -0.910923D+00 -0.593236D+01 -0.264452D+01
                46            47            48            49            50 
      1   0.503495D+00 -0.522245D+00  0.263587D+01 -0.493646D+00 -0.103849D+01
      2  -0.265995D+01  0.192481D+01 -0.137940D+01 -0.330735D-01  0.715773D+00
      3   0.107047D+02 -0.446085D+01 -0.247895D+01  0.674997D+01 -0.678784D+01
                51            52            53            54            55 
      1  -0.256861D+01  0.482084D+01  0.442662D+00 -0.178850D+01 -0.129024D+01
      2   0.181480D+01 -0.146635D+02  0.193125D+01  0.247638D+01 -0.208376D+00
      3  -0.322730D-01 -0.420817D+01  0.135709D+01 -0.578761D+01 -0.203368D+01
                56            57            58            59            60 
      1   0.199387D+01 -0.115198D+01  0.293787D+01 -0.103130D+01 -0.139007D+01
      2   0.925493D+00 -0.788917D+00  0.144628D+01 -0.558294D+01  0.949941D+00
      3  -0.352377D+01 -0.125915D+01  0.123046D+02  0.796299D+01  0.415154D+01
                61            62            63            64            65 
      1  -0.352321D+01  0.620051D+01  0.335770D+01 -0.338624D+01 -0.119969D+01
      2  -0.109963D+02  0.850529D+00  0.134925D+02  0.725714D+01  0.352585D+01
      3  -0.400051D+01  0.739099D+01  0.216486D+01  0.832403D+01 -0.128001D+02
                66            67            68            69            70 
      1   0.185417D+01 -0.178288D+01 -0.348438D+01 -0.253235D+01  0.423084D+01
      2  -0.208432D+01  0.417465D+01  0.328590D+01  0.330961D+00 -0.123077D+02
      3   0.157964D+01 -0.808987D+01 -0.528053D+01 -0.327048D+01  0.109259D+01
                71            72            73            74            75 
      1   0.189320D+01  0.579580D+01  0.546685D+00 -0.282686D+01 -0.185603D+00
      2  -0.150368D+01 -0.122968D+02 -0.136198D+01  0.109552D+01  0.175643D+01
      3  -0.458152D+01 -0.328966D+01 -0.791980D+01  0.172165D+00 -0.131917D+01
                76            77            78            79            80 
      1  -0.671040D+00  0.492838D+01  0.727970D+01  0.632070D+01  0.228066D+02
      2   0.175257D+00  0.435288D+00 -0.249425D+01 -0.571008D+01 -0.603407D+01
      3   0.128309D+02 -0.681754D+01  0.381238D+01 -0.456495D+00  0.829815D+01
                81            82            83            84            85 
      1  -0.656595D+01  0.350435D+00  0.377042D+00 -0.240030D+01 -0.154453D+00
      2   0.288039D+01 -0.682198D+00 -0.730572D+00  0.307004D+01 -0.172695D-01
      3   0.128359D+01 -0.135325D+01 -0.475118D+01  0.273452D+00 -0.383550D+01
                86            87            88            89            90 
      1  -0.437321D-01 -0.316924D+01  0.108992D+01  0.137312D+01  0.391475D-01
      2  -0.194244D+00  0.314169D+01 -0.992600D+00 -0.966934D+00 -0.117652D+00
      3  -0.109838D+02  0.129134D+00 -0.315617D+00 -0.688301D+00  0.126449D+00
                91            92            93            94            95 
      1   0.412379D-01 -0.444886D+00  0.607552D+00 -0.235046D+00  0.142044D+00
      2  -0.205374D+01  0.238114D+00  0.625971D+01  0.700266D+00 -0.436308D+00
      3   0.241049D+01 -0.535650D+01 -0.300503D+00 -0.447815D+01  0.186834D+01
                96            97            98            99           100 
      1  -0.376677D+00 -0.495166D+00  0.237907D+00 -0.954427D-01 -0.828468D-01
      2  -0.945086D+00 -0.217605D+01  0.401526D+00 -0.603927D+00 -0.388678D+00
      3   0.600134D+00 -0.453727D+00  0.646298D+00 -0.615337D-01  0.101656D+01
               101           102           103           104           105 
      1   0.208240D+00  0.154667D+01  0.486382D-01  0.432626D+00 -0.425914D+01
      2   0.611175D+00  0.138847D+01  0.386015D+00 -0.178510D+01 -0.279642D+01
      3  -0.269154D+01 -0.368578D+00 -0.118559D+01  0.152140D+02  0.156679D+01
               106           107           108           109           110 
      1  -0.396996D+00  0.152336D+01 -0.374910D+00  0.240435D+00 -0.606004D-03
      2  -0.666107D+00  0.514116D+00 -0.317268D+00  0.611093D+00 -0.685328D+00
      3  -0.300166D+00  0.133977D+01 -0.151189D+00 -0.674712D+01  0.569631D+01
               111           112           113           114           115 
      1   0.123846D+01 -0.323978D+00  0.690561D+00 -0.422333D+01 -0.622351D+00
      2   0.182959D+00 -0.937127D+00  0.990527D+00 -0.201793D+00 -0.904923D+00
      3   0.501648D+00  0.830248D+01 -0.124215D+02 -0.114172D+01  0.109615D+01
               116           117           118           119           120 
      1   0.187508D+01 -0.282461D+00 -0.729582D+00 -0.147041D+01  0.825427D+00
      2   0.300059D+00 -0.209955D+00 -0.124136D+01 -0.113627D-01  0.344361D+01
      3  -0.186599D+01  0.157315D+00 -0.107411D+01 -0.341357D+01  0.124046D+01
               121           122           123           124           125 
      1  -0.135126D+01 -0.641347D+00 -0.897196D+00  0.997698D+00  0.263293D+01
      2   0.364556D+00 -0.137379D+00 -0.969730D+00  0.231396D+01 -0.548027D+00
      3  -0.262995D+01 -0.931304D+00  0.217582D+01  0.209829D+01  0.225109D+01
               126           127           128           129           130 
      1  -0.378910D+01  0.271223D+01  0.494359D-01  0.303309D+01 -0.231938D+01
      2  -0.151585D+02  0.807569D+01 -0.207421D+01  0.576193D+01 -0.280299D+01
      3  -0.388745D+00  0.207205D+02 -0.122079D+02 -0.160837D+01 -0.177457D+01
               131           132           133           134           135 
      1   0.905309D+01 -0.280322D+00 -0.349391D-02  0.470544D+01 -0.102347D+02
      2   0.688316D+01  0.419017D+00 -0.665511D+00  0.296702D+01 -0.160199D+02
      3  -0.181709D+02 -0.778450D+01 -0.136086D+01 -0.755156D+01 -0.451948D+01
               136           137           138           139           140 
      1   0.237375D+01  0.585919D+00 -0.248741D+01  0.723273D+00  0.762896D+00
      2  -0.483035D+01 -0.185236D+01  0.575615D+01 -0.177057D+01 -0.190214D+01
      3   0.482010D+01 -0.389440D+01 -0.972576D+00  0.469960D+00 -0.213267D+01
               141           142           143           144           145 
      1  -0.149704D+01 -0.275174D+01  0.117645D+00  0.118844D+01 -0.111727D+01
      2   0.190335D+01  0.412972D+01  0.193613D+01 -0.264937D+01  0.179035D+01
      3   0.127965D+01 -0.225832D+01  0.299509D+01  0.827335D+00 -0.273367D+00
               146           147           148           149           150 
      1   0.181868D+00 -0.142662D+01  0.306608D+00 -0.133152D+01 -0.269405D+00
      2  -0.270338D+00  0.316619D+01 -0.761526D+00  0.119803D+01 -0.694091D+00
      3  -0.203880D+00  0.138742D+01  0.185484D+01  0.228971D+01 -0.173049D+01
               151           152           153           154           155 
      1  -0.363486D+01  0.266533D+01 -0.858798D+01  0.209072D+01  0.291056D+00
      2   0.309969D+01  0.156377D+01  0.161163D+02  0.450822D+00 -0.225059D+00
      3   0.367411D+01 -0.541426D+01  0.199239D+01  0.430122D+01  0.498233D+00
               156           157           158           159           160 
      1  -0.729447D+00  0.144916D+01  0.390669D+01 -0.671596D+01 -0.364903D+01
      2   0.115518D+01  0.404157D-01 -0.199396D+01  0.206174D+01 -0.297050D+00
      3  -0.236564D+01  0.171047D+01 -0.278077D+00  0.685879D+00 -0.655008D+01
               161           162           163           164           165 
      1  -0.917314D+01  0.143172D+02 -0.110377D+01  0.660415D+00  0.514165D+00
      2   0.406914D+01 -0.504099D+01  0.239336D+00 -0.403114D+00  0.647148D+00
      3  -0.685554D+00 -0.722417D+00 -0.108016D+01 -0.284460D+00  0.173968D+01
               166           167           168           169           170 
      1  -0.172336D+01 -0.794198D+01 -0.752659D+01 -0.175789D+01 -0.811941D+01
      2  -0.266584D+00  0.230879D+01  0.165953D+01 -0.585906D+00  0.248281D+01
      3   0.476956D+01 -0.456941D+01 -0.225713D+01  0.420749D+01 -0.396262D+01
               171           172           173           174           175 
      1  -0.654436D+01  0.844826D+00 -0.534194D+00 -0.185112D+01 -0.136380D+00
      2   0.135216D+01  0.223594D+01  0.497149D+00 -0.228314D+01  0.197728D+00
      3  -0.213037D+01 -0.299486D+00  0.151951D+01 -0.159775D+01  0.122815D+01
               176           177           178           179           180 
      1   0.114347D+01 -0.113217D+01  0.450074D+00  0.125661D+01  0.134762D+02
      2   0.147734D+01 -0.444545D+00 -0.225845D+01 -0.312106D+01  0.192214D+02
      3   0.162176D+01 -0.152277D+01 -0.149160D+01 -0.357456D+01  0.360248D+01
               181           182           183           184           185 
      1  -0.210802D+00  0.149839D+00  0.201263D+01  0.291905D+00 -0.678158D+00
      2  -0.405589D+01 -0.970124D-02  0.595721D+01  0.230560D+00 -0.103818D+01
      3  -0.179133D+02 -0.451236D+01  0.973661D+00 -0.184215D+01 -0.130600D+00
               186           187           188           189           190 
      1  -0.423689D+00  0.148271D+01  0.324481D+00  0.223566D+00 -0.104361D+01
      2   0.545529D+00  0.214808D+01 -0.361778D+00  0.156176D+00 -0.129070D+01
      3   0.113667D+01  0.156720D+01  0.194966D+01 -0.106472D+01  0.406668D+01
               191           192           193           194           195 
      1  -0.472992D+00 -0.172650D+01 -0.445701D+00 -0.547192D+01 -0.573453D+01
      2   0.698152D-01 -0.551824D+00 -0.442656D+00 -0.332295D+01 -0.303621D+01
      3   0.468365D+01  0.166196D+01  0.539020D+01  0.232826D+02  0.516444D+01
               196           197           198 
      1  -0.377083D+00 -0.227234D+01 -0.183120D+01
      2  -0.134496D+01 -0.283691D+01 -0.117838D+01
      3   0.226437D+01  0.684971D+01  0.434436D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.180858D+01 -0.218069D+02 -0.145481D+01  0.269087D+02  0.544820D+01
      2  -0.601519D+01  0.158315D+02  0.755260D-01 -0.267033D+02 -0.111648D+02
      3   0.420661D+01  0.597542D+01  0.137928D+01 -0.205393D+00  0.571656D+01
      4  -0.210790D+02  0.445796D+01  0.479323D+01  0.470790D+01 -0.155957D+02
      5   0.124014D+01  0.542045D+01  0.651005D+01 -0.929521D+00 -0.266787D+01
      6   0.463801D+01  0.247172D+01  0.661129D+01 -0.300951D+01  0.689408D+00
                 6             7             8             9            10 
      1  -0.165196D+00  0.656744D+01  0.605613D+01  0.275001D+01 -0.120109D+02
      2   0.111725D+01 -0.465455D+01 -0.496080D+01 -0.816516D+01  0.754560D+01
      3  -0.952057D+00 -0.191289D+01 -0.109533D+01  0.541514D+01  0.446526D+01
      4  -0.362457D+01  0.471669D+01 -0.271230D+01  0.169863D+02  0.592019D+01
      5   0.105126D+02  0.229292D+02  0.189484D+02  0.163351D+01  0.958292D+01
      6   0.422899D+01  0.113441D+02  0.144847D+02 -0.247059D+01 -0.477165D+00
                11            12            13            14            15 
      1   0.314059D+01  0.646874D+01 -0.116931D+02 -0.242919D+02 -0.233652D+01
      2  -0.124557D+01 -0.395133D+01  0.977106D+01  0.233994D+02  0.309967D+01
      3  -0.189502D+01 -0.251741D+01  0.192207D+01  0.892513D+00 -0.763155D+00
      4   0.229752D+02 -0.506470D+00 -0.247508D+02  0.794089D+01  0.332454D+01
      5  -0.108104D+01  0.137813D+02 -0.522781D+01  0.265822D+01 -0.195174D+01
      6  -0.140068D+01 -0.122968D+01  0.295037D+01 -0.103248D+01 -0.334699D+01
                16            17            18            19            20 
      1   0.107521D+02 -0.380059D+01  0.158505D+02  0.137160D+02  0.207903D+02
      2  -0.410982D+01  0.267943D+01 -0.207690D+02 -0.137040D+02 -0.146678D+02
      3  -0.664231D+01  0.112116D+01  0.491847D+01 -0.120143D-01 -0.612251D+01
      4  -0.616991D+01 -0.965739D+00 -0.176657D+01  0.973618D+01 -0.129073D+02
      5   0.367509D+02 -0.366273D+01 -0.558247D+01  0.135816D+01 -0.443599D+01
      6  -0.302316D+00  0.335686D+01 -0.123808D+01 -0.246284D+01  0.552376D+01
                21            22            23            24            25 
      1  -0.784178D+00 -0.223587D+02  0.135249D+02  0.191930D+01  0.289555D+00
      2   0.612478D+00  0.205203D+02 -0.215803D+02 -0.400617D+01  0.226068D+01
      3   0.171700D+00  0.183841D+01  0.805536D+01  0.208687D+01 -0.255023D+01
      4  -0.394124D+01  0.756080D+01  0.567141D+01  0.205472D+01 -0.451734D+01
      5  -0.147503D+01 -0.282937D+00  0.247809D+01 -0.899972D+01  0.112349D+02
      6  -0.744242D+00  0.145422D+01 -0.508847D+01  0.487358D+01 -0.831607D+01
                26            27            28            29            30 
      1  -0.232263D+01 -0.390308D+01 -0.993569D+01 -0.270027D+02 -0.288171D+00
      2  -0.275287D+01 -0.432042D+01  0.892846D+01  0.212137D+02 -0.158666D+01
      3   0.507550D+01  0.822349D+01  0.100723D+01  0.578899D+01  0.187483D+01
      4   0.660422D+01 -0.173263D+02 -0.781351D+01 -0.786153D+01 -0.622254D+00
      5  -0.168149D+02 -0.213436D+01 -0.120877D+01 -0.152024D+00 -0.864456D-01
      6   0.141049D+02  0.225590D+01 -0.831011D+00 -0.381951D+01  0.178218D+01
                31            32            33            34            35 
      1  -0.116037D+02 -0.115816D+02 -0.198832D+00  0.149303D+01  0.733869D+00
      2   0.566158D+00  0.110984D+02  0.529015D+00 -0.286892D+01 -0.924942D+00
      3   0.110376D+02  0.483188D+00 -0.330183D+00  0.137589D+01  0.191073D+00
      4   0.642127D+01 -0.780915D+01 -0.211299D+01 -0.135973D+01  0.185135D+01
      5  -0.315911D+01 -0.218559D+01  0.103347D+00  0.143094D+01 -0.236592D+01
      6  -0.775187D+01 -0.213017D+01  0.331759D+01  0.296712D+01  0.947182D+01
                36            37            38            39            40 
      1  -0.123114D+02 -0.233964D+02  0.467990D+01 -0.666880D+00 -0.225866D+01
      2   0.176041D+01  0.737295D+01 -0.982342D+00  0.517828D+00  0.501377D+01
      3   0.105510D+02  0.160234D+02 -0.369756D+01  0.149052D+00 -0.275512D+01
      4  -0.805944D+00 -0.726664D+01  0.834554D+01  0.955357D+00 -0.991846D+01
      5   0.183097D+01 -0.848436D+01 -0.158104D+00  0.218038D+01  0.638626D+00
      6  -0.873926D+00  0.633036D+00 -0.194111D+01 -0.124507D+01  0.535606D+01
                41            42            43            44            45 
      1  -0.138457D+01  0.372826D+00  0.422431D+01 -0.212757D+01 -0.867748D+01
      2   0.876194D+01  0.112347D+01 -0.778384D+00  0.275277D+01 -0.374994D+01
      3  -0.737737D+01 -0.149630D+01 -0.344593D+01 -0.625203D+00  0.124274D+02
      4   0.608662D+01  0.325274D+01 -0.149117D+01  0.339039D+01 -0.177083D+01
      5   0.221938D+01 -0.138383D+00  0.308426D+01  0.101656D+01  0.170319D+00
      6   0.132056D+01 -0.369054D+00 -0.121364D+01  0.333938D+01  0.139204D+00
                46            47            48            49            50 
      1   0.552681D+01  0.759934D+01 -0.991979D+00  0.264577D+01  0.863623D+01
      2  -0.384373D+01 -0.863142D+01  0.108109D+01  0.637070D+01 -0.156040D+02
      3  -0.168308D+01  0.103208D+01 -0.891079D-01 -0.901646D+01  0.696773D+01
      4   0.112006D+02 -0.193571D+02 -0.171768D+01  0.160573D+02  0.122626D+02
      5   0.729300D+00 -0.184625D+01 -0.382742D+01  0.165643D+01  0.667536D+00
      6  -0.354190D+01  0.244330D+01 -0.486112D+01  0.429677D+00 -0.498502D+01
                51            52            53            54            55 
      1   0.223277D+01 -0.147294D+01  0.625464D+00 -0.168826D+02  0.177658D+02
      2  -0.362628D+01  0.272495D+01 -0.428664D+01  0.580377D+01 -0.426872D+01
      3   0.139350D+01 -0.125201D+01  0.366117D+01  0.110788D+02 -0.134971D+02
      4   0.189483D+00  0.275562D+01  0.474981D+01  0.653247D+01  0.117635D+02
      5   0.141094D+01  0.992568D+00  0.685307D+01  0.490398D+01  0.609030D+01
      6   0.612443D+01 -0.308024D+01  0.189237D+02  0.511052D+01 -0.494684D+00
                56            57            58            59            60 
      1   0.967305D+00 -0.104923D+01  0.497880D+01 -0.807261D+01  0.136419D+01
      2   0.175473D+01 -0.405536D+01 -0.368831D+00  0.723813D+00  0.100112D+01
      3  -0.272203D+01  0.510459D+01 -0.460997D+01  0.734880D+01 -0.236531D+01
      4  -0.114444D+02 -0.310094D-01 -0.222846D+02 -0.652471D+01 -0.764147D+01
      5   0.101743D+01 -0.959118D+01  0.181850D+01 -0.761791D+01  0.337394D+01
      6  -0.351648D+01  0.307032D+01 -0.594337D+01  0.289440D+01 -0.216512D+01
                61            62            63            64            65 
      1  -0.113120D+02  0.224379D+01  0.426411D+01 -0.176773D+02 -0.182679D+02
      2  -0.119004D+02  0.345858D+01  0.123237D+02  0.294875D+01  0.967891D+01
      3   0.232125D+02 -0.570237D+01 -0.165878D+02  0.147286D+02  0.858897D+01
      4   0.117884D+00 -0.120073D+02  0.540525D+01 -0.232375D+02 -0.697484D+01
      5  -0.176598D+02  0.331717D+01  0.368628D+02  0.151062D+02  0.558774D+01
      6   0.621194D+01 -0.334072D+00 -0.866374D+01  0.657192D+01  0.329454D+01
                66            67            68            69            70 
      1   0.907619D+01 -0.200463D+02  0.715457D+00  0.175282D+01  0.150482D+02
      2  -0.146981D+01  0.106866D+02  0.196462D+01  0.746903D+00  0.700836D-01
      3  -0.760638D+01  0.935969D+01 -0.268008D+01 -0.249972D+01 -0.151183D+02
      4   0.662762D+01 -0.370439D+01  0.123607D+02  0.693334D+01  0.137194D+02
      5  -0.839800D+01  0.667305D+01  0.573379D+01  0.866645D+00 -0.144617D+02
      6  -0.363410D+01  0.447930D+01  0.591518D+01  0.183086D+01 -0.694470D+01
                71            72            73            74            75 
      1   0.741160D+01 -0.911125D+01 -0.467708D+01  0.118388D+02 -0.438906D+01
      2  -0.243657D+01  0.160412D+02  0.785858D+01 -0.696351D+01  0.452573D+01
      3  -0.497502D+01 -0.692998D+01 -0.318150D+01 -0.487526D+01 -0.136668D+00
      4   0.906471D+01 -0.695239D+01  0.428357D+01  0.449562D+01  0.961263D-01
      5  -0.255745D+01 -0.273720D+02 -0.147762D+01  0.910355D+00 -0.109246D+01
      6   0.321332D+01 -0.995456D+01  0.143165D+01  0.654972D+01 -0.433117D+00
                76            77            78            79            80 
      1   0.246450D+02  0.318969D+02  0.117794D+00 -0.102866D+02 -0.305076D+01
      2  -0.192881D+02 -0.337028D+02 -0.771213D+01  0.702310D+01 -0.765980D+01
      3  -0.535683D+01  0.180591D+01  0.759434D+01  0.326345D+01  0.107106D+02
      4   0.110742D+01 -0.680653D+01  0.308990D+00  0.813000D+00  0.316252D+01
      5   0.242883D+01  0.118514D+01 -0.649341D+01 -0.209976D+01 -0.101024D+02
      6   0.546904D+01 -0.542207D+01 -0.218308D+02 -0.117021D+02 -0.409956D+02
                81            82            83            84            85 
      1   0.284284D+02  0.257345D+02  0.161391D+02 -0.276537D+00  0.101316D+02
      2  -0.269159D+02 -0.465650D+01  0.817241D+00  0.735498D-01  0.805303D+01
      3  -0.151249D+01 -0.210780D+02 -0.169564D+02  0.202988D+00 -0.181846D+02
      4  -0.772721D+01  0.389733D+02  0.343784D+02 -0.112088D+01  0.383646D+02
      5   0.779683D+01 -0.363395D+00 -0.625793D+00  0.567782D+01  0.802349D+00
      6   0.167490D+02 -0.119988D+01 -0.118248D+01  0.322781D+01 -0.252978D+00
                86            87            88            89            90 
      1   0.461886D+01  0.211622D+00 -0.182999D+01 -0.128162D+01 -0.108948D+00
      2   0.178633D+02 -0.396630D+00  0.984508D+00  0.971692D+00  0.107702D+01
      3  -0.224821D+02  0.185008D+00  0.845485D+00  0.309928D+00 -0.968070D+00
      4   0.476858D+02 -0.445714D-01 -0.150906D+01 -0.565002D+00  0.253863D+01
      5   0.868652D+00  0.468551D+01  0.178223D+01  0.126326D+01 -0.358352D+00
      6  -0.655654D+00  0.524112D+01  0.142196D+01  0.229510D+01 -0.121247D+00
                91            92            93            94            95 
      1   0.102025D+03 -0.100525D+02 -0.906911D+01 -0.988685D+01  0.105900D+02
      2  -0.597002D+02  0.549635D+01  0.633263D+01  0.481190D+01 -0.537201D+01
      3  -0.423251D+02  0.455611D+01  0.273648D+01  0.507495D+01 -0.521795D+01
      4  -0.145273D+02  0.957236D+01  0.133181D+01  0.172248D+02 -0.493980D+01
      5  -0.131452D+02  0.132318D+01  0.109737D+02  0.234188D+01 -0.170169D+01
      6   0.184788D+00 -0.646202D+00 -0.664939D+00 -0.127773D+01  0.245320D+00
                96            97            98            99           100 
      1   0.139588D+01 -0.120536D+02  0.149911D+01  0.376891D+01  0.574168D+01
      2  -0.996273D+00  0.750378D+01 -0.824239D+00 -0.254895D+01  0.240794D+01
      3  -0.399602D+00  0.454978D+01 -0.674869D+00 -0.121996D+01 -0.814962D+01
      4  -0.180003D+01  0.278358D+01 -0.131995D+01 -0.116868D+01 -0.185441D+02
      5  -0.137608D+01  0.461481D+01 -0.467922D+00 -0.247408D+01 -0.205689D+01
      6   0.177669D+01 -0.493804D+00  0.938756D+00  0.416087D+00  0.185753D+01
               101           102           103           104           105 
      1  -0.475617D+01 -0.534965D+00  0.219684D+00 -0.146529D+02 -0.163076D+01
      2  -0.407179D+01 -0.360941D-01 -0.104783D+02  0.352755D+02  0.251801D+01
      3   0.882795D+01  0.571059D+00  0.102586D+02 -0.206226D+02 -0.887248D+00
      4   0.220994D+02  0.278517D+01  0.253592D+02 -0.477179D+02 -0.476138D+01
      5   0.239671D+01  0.356813D+01  0.228524D+01 -0.359691D+01 -0.465241D+01
      6  -0.221937D+01 -0.239542D+01 -0.262704D+01  0.647848D+01  0.713179D+01
               106           107           108           109           110 
      1  -0.687734D+00 -0.950478D+00 -0.189196D+01 -0.438748D+01  0.781768D+01
      2  -0.794259D+00  0.294137D+01  0.254937D+01  0.652209D+01 -0.970539D+01
      3   0.148199D+01 -0.199089D+01 -0.657414D+00 -0.213461D+01  0.188771D+01
      4   0.418820D+01 -0.589693D+01 -0.211508D+01 -0.358970D+01  0.786974D+01
      5   0.150420D+01 -0.146606D+01 -0.973861D+00  0.392452D+00  0.142524D-01
      6  -0.161091D+01  0.378245D+01  0.144537D+01  0.123211D+01 -0.229051D+01
               111           112           113           114           115 
      1   0.151694D+01  0.631112D+01 -0.374838D+02 -0.411959D+01  0.117889D+01
      2  -0.110944D+01 -0.827116D+01  0.523765D+02  0.419760D+01 -0.151395D+01
      3  -0.407506D+00  0.196004D+01 -0.148927D+02 -0.780138D-01  0.335063D+00
      4   0.336244D+00  0.600643D+01  0.302618D+01  0.553009D+00  0.270535D+00
      5   0.952101D+00 -0.479454D-01  0.184872D+01  0.634232D+00  0.603453D+00
      6  -0.154235D+01 -0.117357D+01  0.781690D+01  0.734111D+01 -0.354406D+00
               116           117           118           119           120 
      1  -0.366240D+01 -0.179287D+01  0.517861D+01 -0.812309D+00 -0.414131D+01
      2   0.442225D+01  0.195162D+01 -0.847045D+01  0.228011D+00  0.613230D+01
      3  -0.759846D+00 -0.158751D+00  0.329184D+01  0.584298D+00 -0.199099D+01
      4  -0.556908D+00 -0.138977D+01 -0.439971D+01  0.710465D+01  0.179521D+01
      5  -0.555169D+00 -0.506880D+00 -0.115863D+02  0.120587D+01  0.148784D+02
      6   0.320337D+01  0.153004D+01  0.208815D+01  0.404346D-01 -0.163723D+01
               121           122           123           124           125 
      1  -0.350867D+00 -0.165009D+01 -0.354073D+00 -0.154463D+01 -0.101572D+01
      2  -0.646058D+00 -0.695512D+00  0.258424D+00  0.139998D+02 -0.126906D+01
      3   0.996925D+00  0.234560D+01  0.956490D-01 -0.124551D+02  0.228479D+01
      4   0.103428D+02 -0.308705D+01 -0.424025D+01  0.496747D+01 -0.598807D+01
      5   0.379426D+00 -0.417282D+01 -0.144225D+01  0.241696D+02 -0.388694D+01
      6  -0.175797D+01  0.111925D+01  0.767641D+01 -0.433118D+01  0.523600D+01
               126           127           128           129           130 
      1  -0.128087D+02 -0.609032D+02  0.958576D+01  0.424094D+01 -0.292708D+01
      2  -0.229339D+02  0.345371D+02 -0.132254D+02 -0.455615D+01 -0.429664D+01
      3   0.357426D+02  0.263661D+02  0.363967D+01  0.315214D+00  0.722372D+01
      4  -0.394603D+01  0.143772D+02  0.137751D+02 -0.330717D+01  0.213934D+02
      5  -0.397530D+02  0.490779D+01 -0.137769D+01  0.816371D+01 -0.392289D+01
      6   0.930645D+01 -0.660004D+01  0.246200D+01 -0.564463D+01  0.433813D+01
               131           132           133           134           135 
      1   0.239390D+02  0.535116D+01  0.999604D+01  0.300586D+01  0.159372D+02
      2  -0.271730D+02 -0.113078D+02 -0.172892D+01 -0.126050D+02  0.113712D+00
      3   0.323398D+01  0.595661D+01 -0.826712D+01  0.959913D+01 -0.160509D+02
      4   0.436376D+01  0.124639D+02 -0.965852D+01  0.145153D+02 -0.237950D+01
      5   0.148376D+02  0.514942D+00  0.703405D+01  0.208200D+01 -0.263456D+02
      6  -0.132268D+02 -0.101105D+00 -0.408874D+01 -0.163570D+01  0.177114D+02
               136           137           138           139           140 
      1   0.500005D+02  0.144350D+02 -0.945923D+01  0.110937D+02  0.586459D+01
      2  -0.224723D+02 -0.349017D+01  0.425673D+01 -0.120306D+01  0.274149D+01
      3  -0.275281D+02 -0.109449D+02  0.520251D+01 -0.989062D+01 -0.860608D+01
      4   0.353905D+02  0.203059D+02 -0.687543D+01  0.203882D+02  0.140520D+02
      5  -0.142548D+02 -0.461273D+01  0.106786D+02 -0.432972D+01 -0.514070D+01
      6  -0.593119D+01 -0.308154D+01  0.442661D+01 -0.320990D+01 -0.323758D+01
               141           142           143           144           145 
      1  -0.151732D+01 -0.153951D+02 -0.317386D+01  0.716259D+01  0.715311D+01
      2  -0.680709D+00  0.803290D+01  0.614346D-01 -0.605391D+01 -0.627723D+01
      3   0.219803D+01  0.736224D+01  0.311243D+01 -0.110868D+01 -0.875881D+00
      4  -0.562370D+01 -0.124647D+02 -0.953071D+01  0.806418D+01  0.553759D+01
      5   0.342004D+01  0.154504D+02  0.587891D+01 -0.697096D+01  0.804475D+01
      6   0.318091D+01  0.712786D+01  0.399396D+01 -0.346529D+01  0.239275D+01
               146           147           148           149           150 
      1   0.355505D+01  0.475386D+01  0.394817D+00 -0.107793D+01 -0.157797D+01
      2  -0.204277D+01 -0.490739D+01  0.136231D+01 -0.120675D+01  0.232800D+01
      3  -0.151228D+01  0.153526D+00 -0.175713D+01  0.228468D+01 -0.750032D+00
      4   0.275850D+01  0.231309D+01  0.392540D+01 -0.857762D+00  0.370369D+01
      5   0.667794D+00  0.955614D+01 -0.135383D+01  0.356008D+01 -0.207842D+01
      6   0.104204D+01  0.192240D+01  0.124404D+01  0.103513D+01  0.478042D+01
               151           152           153           154           155 
      1   0.800604D+01 -0.224658D+01 -0.151792D+01  0.430225D+00  0.510837D+00
      2  -0.114841D+02  0.171215D+01 -0.188513D+02 -0.108448D+01 -0.233305D+00
      3   0.347804D+01  0.534423D+00  0.203692D+02  0.654254D+00 -0.277533D+00
      4   0.475239D+01  0.766574D+01  0.698969D+01  0.344107D+01  0.706371D+01
      5   0.185044D+02  0.362253D+01  0.348220D+02 -0.239148D+01 -0.377189D+01
      6   0.648169D+01  0.475303D+01  0.153675D+02 -0.630035D+01 -0.199302D+01
               156           157           158           159           160 
      1  -0.523950D+00 -0.573301D+01 -0.244892D+02  0.117824D+02  0.501590D+01
      2  -0.571977D-01  0.690703D+01  0.278515D+02 -0.108345D+02 -0.359930D+01
      3   0.581148D+00 -0.117401D+01 -0.336230D+01 -0.947938D+00 -0.141661D+01
      4  -0.539128D+01  0.562467D+01  0.879986D+01 -0.437861D+01 -0.971493D+01
      5   0.595524D+01 -0.229087D+01 -0.501691D+01  0.434609D+01  0.723388D+01
      6   0.166964D+01 -0.466222D+01 -0.187221D+02  0.181064D+02  0.101518D+02
               161           162           163           164           165 
      1   0.238131D+02 -0.262716D+02 -0.357691D+00  0.418010D+01  0.236055D+01
      2  -0.188422D+02  0.129001D+02  0.241340D+01 -0.474273D+01 -0.188747D+01
      3  -0.497087D+01  0.133715D+02 -0.205571D+01  0.562633D+00 -0.473073D+00
      4  -0.971602D+01  0.744025D+01  0.113405D+01  0.751837D+01  0.363123D+01
      5   0.993823D+01 -0.113452D+02  0.108299D+01  0.179107D+01  0.236191D+01
      6   0.337744D+02 -0.351304D+02  0.460225D+01 -0.144062D+01 -0.863464D+00
               166           167           168           169           170 
      1  -0.346145D+01 -0.365243D+02 -0.112160D+02  0.217647D+00 -0.195973D+02
      2   0.521646D+01  0.524985D+02  0.160494D+02  0.152451D+01  0.256365D+02
      3  -0.175500D+01 -0.159742D+02 -0.483338D+01 -0.174215D+01 -0.603921D+01
      4   0.684599D+01  0.105202D+02  0.310100D+01  0.520730D+01  0.545915D+01
      5   0.171180D+01  0.370627D+01  0.319915D+01  0.352116D+01  0.533388D+01
      6   0.206140D+01  0.220196D+02  0.159507D+02  0.433540D+01  0.257415D+02
               171           172           173           174           175 
      1  -0.162435D+02  0.377682D+01 -0.269642D+01  0.584353D+01  0.108805D+01
      2   0.149888D+02 -0.393776D+01  0.302860D+01 -0.109720D+01 -0.957798D+00
      3   0.125468D+01  0.160944D+00 -0.332182D+00 -0.474633D+01 -0.130253D+00
      4   0.423571D+01 -0.437906D+00 -0.202384D+01 -0.175980D+01 -0.737796D+00
      5   0.219582D+01  0.217543D+01  0.114666D+00 -0.387268D+00  0.696632D+00
      6   0.149370D+02 -0.163203D+01 -0.166211D+01  0.355620D+01  0.225790D-01
               176           177           178           179           180 
      1  -0.597475D+01  0.229054D+01  0.640906D+01  0.374136D+01 -0.179886D+02
      2   0.427482D+01 -0.247194D+01 -0.376176D+01 -0.259602D+01 -0.924687D+01
      3   0.169993D+01  0.181400D+00 -0.264730D+01 -0.114534D+01  0.272355D+02
      4  -0.126799D+01  0.238588D+01 -0.679973D+01  0.752730D+01 -0.330026D+01
      5   0.197329D+01 -0.382079D+00  0.774212D+01 -0.636804D+01  0.326810D+02
      6  -0.219317D+01  0.606733D+01 -0.221462D+01  0.916549D+01 -0.256262D+02
               181           182           183           184           185 
      1   0.875482D+02 -0.878437D+01 -0.340566D+01  0.596374D+01  0.414297D+01
      2  -0.450104D+02  0.114451D+01  0.139669D+01 -0.600638D+01  0.571862D+00
      3  -0.425378D+02  0.763987D+01  0.200898D+01  0.426436D-01 -0.471484D+01
      4  -0.371803D+02  0.161235D+02  0.722834D+00  0.814757D+01 -0.353212D+01
      5   0.203407D+01 -0.568519D+00  0.100716D+02  0.590017D+00 -0.163935D+01
      6   0.173579D+01  0.802941D+00 -0.391727D+01  0.249449D+00  0.120866D+01
               186           187           188           189           190 
      1  -0.784142D+00 -0.774380D+01 -0.294971D+00  0.608422D+01  0.263069D+01
      2   0.130953D+01  0.413004D+01  0.207618D+01 -0.507510D+01  0.106055D+01
      3  -0.525388D+00  0.361376D+01 -0.178121D+01 -0.100911D+01 -0.369125D+01
      4  -0.179089D+01  0.422853D+01 -0.387533D+01 -0.301081D+01 -0.165831D+01
      5   0.933804D+00  0.115944D+02 -0.182129D+01 -0.540370D+00 -0.156578D+01
      6   0.669653D+00 -0.348220D+01  0.185247D+01 -0.624638D+00  0.210310D+01
               191           192           193           194           195 
      1  -0.836211D+01 -0.227906D+01 -0.541026D+01 -0.275504D+02 -0.589058D+01
      2   0.945944D+01  0.223626D+01  0.163875D+01  0.478114D+02  0.975334D+01
      3  -0.109733D+01  0.428041D-01  0.377150D+01 -0.202609D+02 -0.386276D+01
      4  -0.239683D+00  0.138480D+01  0.868665D+01 -0.326074D+02 -0.604288D+01
      5  -0.319975D+00 -0.125346D+01 -0.478146D+00 -0.799700D+01 -0.648676D+01
      6   0.563176D+00  0.254618D+01 -0.178157D+00  0.745015D+01  0.871301D+01
               196           197           198 
      1  -0.434525D+01 -0.660550D+01 -0.753465D+01
      2   0.146679D+01  0.114461D+02  0.632218D+01
      3   0.287845D+01 -0.484064D+01  0.121248D+01
      4   0.516447D+01 -0.108563D+02 -0.453312D+01
      5   0.812074D+00 -0.616128D+01 -0.233002D+01
      6   0.116945D+00  0.936948D+01  0.469962D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.228478D+00      0.580733D+00      0.193712D+01
   y          0.849445D-01      0.215907D+00      0.720189D+00
   z         -0.465018D-01     -0.118196D+00     -0.394258D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.137958D+03      0.204432D+02      0.227462D+02
   yx         0.163919D+01      0.242903D+00      0.270266D+00
   yy         0.121490D+03      0.180029D+02      0.200309D+02
   zx        -0.354524D+01     -0.525350D+00     -0.584531D+00
   zy         0.151232D+01      0.224103D+00      0.249348D+00
   zz         0.749665D+02      0.111089D+02      0.123603D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118000D+03      0.174859D+02      0.194557D+02
   aniso      0.609345D+02      0.902957D+01      0.100467D+02
   xx         0.146768D+03      0.217488D+02      0.241988D+02
   yx         0.202385D+01      0.299903D+00      0.333687D+00
   yy         0.128035D+03      0.189729D+02      0.211102D+02
   zx        -0.379004D+01     -0.561626D+00     -0.624894D+00
   zy         0.149951D+01      0.222205D+00      0.247236D+00
   zz         0.791978D+02      0.117359D+02      0.130580D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.56469655          1.00365449         -4.55743152
     6         -1.20986827         -1.54511696         -4.60129481
     6         -1.30345256         -2.93267351         -2.36616220
     6         -0.73934845         -1.74384953         -0.09972884
     6         -0.09110474          0.81339270         -0.05371423
     6         -0.00390573          2.19672292         -2.27856556
     6          0.40639081          1.68329970          2.62667135
     6          0.80348043         -0.84403721          4.03702730
     6         -0.73210609         -2.81674549          2.54175414
     1         -0.48852925          2.06263104         -6.30614058
     1         -1.63120726         -2.45621651         -6.38386003
     1         -1.79798374         -4.91928057         -2.40719885
     1          0.50546046          4.17909947         -2.25955092
     1         -1.32533153          2.57546650          3.34296304
     6          2.57573924          3.55181208          2.93253577
     1          0.27173336         -0.73516801          6.02457714
     1          2.80931069         -1.33543593          3.95290119
     1         -2.66869843         -2.94366091          3.26328352
     1          0.07298243         -4.71211499          2.64459003
     1          4.32875066          2.75645476          2.18752716
     1          2.87317206          4.01252755          4.92196496
     1          2.20357921          5.31694588          1.93240411

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.248154D+00      0.630743D+00      0.210393D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.805435D+02      0.119353D+02      0.132798D+02
   yx         0.137380D+02      0.203576D+01      0.226508D+01
   yy         0.117992D+03      0.174846D+02      0.194542D+02
   zx         0.986082D+01      0.146122D+01      0.162583D+01
   zy         0.120081D+01      0.177942D+00      0.197987D+00
   zz         0.135879D+03      0.201351D+02      0.224034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118000D+03      0.174859D+02      0.194557D+02
   aniso      0.609345D+02      0.902957D+01      0.100467D+02
   xx         0.851315D+02      0.126152D+02      0.140363D+02
   yx         0.144867D+02      0.214670D+01      0.238853D+01
   yy         0.124278D+03      0.184161D+02      0.204907D+02
   zx         0.106012D+02      0.157094D+01      0.174791D+01
   zy         0.141023D+01      0.208975D+00      0.232516D+00
   zz         0.144592D+03      0.214263D+02      0.238399D+02

 ----------------------------------------------------------------------
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 A CHEMICAL PHYSICIST MAKES PRECISE MEASUREMENTS ON IMPURE COMPOUNDS.
 A THEORETICAL PHYSICAL CHEMIST MAKES IMPRECISE
     MEASUREMENTS ON PURE COMPOUNDS.
 AN EXPERIMENTAL PHYSICAL CHEMIST MAKES IMPRECISE
     MEASUREMENTS ON IMPURE COMPOUNDS.
 Job cpu time:       0 days  3 hours 24 minutes 36.3 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 48.9 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:35:55 2021.
